SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'RIT'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ALA A  28
VAL A  32
GLY A  48
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.73A 1c6yA-4njvA:
20.0		 1c6yA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ARG A   8
LEU A  23
ASP A  25
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.82A 1c6yA-4njvA:
20.0		 1c6yA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.62A 1c6yA-4njvA:
20.0		 1c6yA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.58A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
THR A  80
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
None
RIT  A 500 (-4.3A)
 0.59A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.46A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
THR A  80
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-4.3A)
 0.54A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.36A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  29
ASP A  30
GLY A  48
THR A  80
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.69A 1c6yB-4njvA:
19.1		 1c6yB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.60A 1c6zA-4njvA:
19.8		 1c6zA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.60A 1c6zA-4njvA:
19.8		 1c6zA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.62A 1c6zA-4njvA:
19.8		 1c6zA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.56A 1c6zA-4njvA:
19.8		 1c6zA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.72A 1c6zB-4njvA:
19.6		 1c6zB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
VAL A  32
ILE A  47
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.73A 1c6zB-4njvA:
19.6		 1c6zB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.47A 1c6zB-4njvA:
19.6		 1c6zB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.53A 1c6zB-4njvA:
19.6		 1c6zB-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.75A 1d4sA-4njvA:
21.1		 1d4sA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.56A 1d4sA-4njvA:
21.1		 1d4sA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.61A 1d4yA-4njvA:
21.1		 1d4yA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.49A 1d4yA-4njvA:
21.1		 1d4yA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.41A 1d4yA-4njvA:
21.1		 1d4yA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.65A 1fb7A-4njvA:
20.5		 1fb7A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 1fb7A-4njvA:
20.5		 1fb7A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 1fb7A-4njvA:
20.5		 1fb7A-4njvA:
86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ILE A 303
PHE A 304
GLY A 306
SER A 311
LEU A 211
 None
RIT  A 602 (-3.7A)
HEM  A 601 ( 3.8A)
None
None
 1.00A 1fm6X-5veuA:
undetectable		 1fm6X-5veuA:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 9 LEU A  23
ASP A  25
GLY A  27
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.68A 1hpvA-4njvA:
20.4		 1hpvA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
GLY A  27
VAL A  32
ILE A  47
GLY A  48
ILE A  84
 None
RIT  A 500 (-3.9A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.99A 1hpvA-4njvA:
20.4		 1hpvA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.79A 1hpvB-4njvA:
20.5		 1hpvB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.56A 1hpvB-4njvA:
20.5		 1hpvB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.73A 1hsgA-4njvA:
20.5		 1hsgA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.3A)
 0.58A 1hsgA-4njvA:
20.5		 1hsgA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 1hsgA-4njvA:
20.5		 1hsgA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.75A 1hsgB-4njvA:
20.2		 1hsgB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 1hsgB-4njvA:
20.2		 1hsgB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 1hsgB-4njvA:
20.2		 1hsgB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.61A 1hshB-4njvA:
18.2		 1hshB-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.32A 1hshC-4njvA:
18.5		 1hshC-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 1hshC-4njvA:
18.5		 1hshC-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.32A 1hshC-4njvA:
18.5		 1hshC-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.76A 1hxbA-4njvA:
20.2		 1hxbA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 1hxbA-4njvA:
20.2		 1hxbA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 1hxbA-4njvA:
20.2		 1hxbA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.70A 1hxbB-4njvA:
20.4		 1hxbB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 1hxbB-4njvA:
20.4		 1hxbB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.37A 1hxbB-4njvA:
20.4		 1hxbB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.34A 1hxbB-4njvA:
20.4		 1hxbB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 1hxwA-4njvA:
20.7		 1hxwA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.40A 1hxwA-4njvA:
20.7		 1hxwA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.92A 1hxwB-4njvA:
20.1		 1hxwB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 1.41A 1hxwB-4njvA:
20.1		 1hxwB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.46A 1hxwB-4njvA:
20.1		 1hxwB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
VAL A  32
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.83A 1k6cA-4njvA:
20.7		 1k6cA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.5A)
 0.71A 1k6cA-4njvA:
20.7		 1k6cA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.45A 1k6cA-4njvA:
20.7		 1k6cA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
ASP A  25
GLY A  27
VAL A  32
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.74A 1k6cB-4njvA:
20.5		 1k6cB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.84A 1k6cB-4njvA:
20.5		 1k6cB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.64A 1k6cB-4njvA:
20.5		 1k6cB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUI_B_AB1B100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.77A 1muiA-4njvA:
20.1		 1muiA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUI_B_AB1B100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 1muiA-4njvA:
20.1		 1muiA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUI_B_AB1B100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.50A 1muiB-4njvA:
20.6		 1muiB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUI_B_AB1B100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.54A 1muiB-4njvA:
20.6		 1muiB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUI_B_AB1B100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.70A 1muiB-4njvA:
20.6		 1muiB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUI_B_AB1B100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 1muiB-4njvA:
20.6		 1muiB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUI_B_AB1B100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 1muiB-4njvA:
20.6		 1muiB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N49_B_RITB301_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 7 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.45A 1n49A-4njvA:
20.3		 1n49A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N49_B_RITB301_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.68A 1n49B-4njvA:
20.0		 1n49B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N49_B_RITB301_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.00A 1n49B-4njvA:
20.0		 1n49B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N49_D_RITD401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.61A 1n49C-4njvA:
20.0		 1n49C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N49_D_RITD401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 GLY A  27
ALA A  28
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.84A 1n49C-4njvA:
20.0		 1n49C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N49_D_RITD401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 6 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 1n49D-4njvA:
20.2		 1n49D-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.81A 1ohrA-4njvA:
20.7		 1ohrA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 1ohrA-4njvA:
20.7		 1ohrA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 1ohrA-4njvA:
20.7		 1ohrA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 1ohrB-4njvA:
19.8		 1ohrB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.90A 1rl8A-4njvA:
20.4		 1rl8A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 1rl8A-4njvA:
20.4		 1rl8A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.34A 1rl8A-4njvA:
20.4		 1rl8A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 1sdtA-4njvA:
20.9		 1sdtA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.44A 1sdtB-4njvA:
20.1		 1sdtB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 1sdtB-4njvA:
20.1		 1sdtB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 1sdtB-4njvA:
20.1		 1sdtB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.53A 1sduA-4njvA:
20.6		 1sduA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 1sduA-4njvA:
20.6		 1sduA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDU_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 1sduB-4njvA:
20.4		 1sduB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDU_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 1sduB-4njvA:
20.4		 1sduB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDU_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.40A 1sduB-4njvA:
20.4		 1sduB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.65A 1sdvA-4njvA:
21.0		 1sdvA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.94A 1sdvA-4njvA:
21.0		 1sdvA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 1sdvA-4njvA:
21.0		 1sdvA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.71A 1sdvB-4njvA:
20.1		 1sdvB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.65A 1sdvB-4njvA:
20.1		 1sdvB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.57A 1sdvB-4njvA:
20.1		 1sdvB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
 0.55A 1sguB-4njvA:
20.2		 1sguB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.52A 1sguB-4njvA:
20.2		 1sguB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.52A 1sguB-4njvA:
20.2		 1sguB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ARG A   8
ASP A  25
GLY A  27
ASP A  30
ILE A  47
PRO A  81
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
 1.16A 1sh9B-4njvA:
20.1		 1sh9B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
GLY A  27
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.52A 1sh9B-4njvA:
20.1		 1sh9B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
GLY A  27
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.54A 1sh9B-4njvA:
20.1		 1sh9B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.72A 1t3rA-4njvA:
20.4		 1t3rA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.23A 1t3rA-4njvA:
20.4		 1t3rA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.43A 1t3rA-4njvA:
20.4		 1t3rA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.53A 1t3rA-4njvA:
20.4		 1t3rA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ASP A  25
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.89A 1t3rB-4njvA:
20.5		 1t3rB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 1t3rB-4njvA:
20.5		 1t3rB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.28A 1t7iA-4njvA:
20.1		 1t7iA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.54A 1t7iA-4njvA:
20.1		 1t7iA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.57A 1t7iA-4njvA:
20.1		 1t7iA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 7 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.45A 1t7iB-4njvA:
20.3		 1t7iB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7J_A_478A200_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.27A 1t7jA-4njvA:
20.3		 1t7jA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7J_A_478A200_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.64A 1t7jA-4njvA:
20.3		 1t7jA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7J_A_478A200_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.77A 1t7jA-4njvA:
20.3		 1t7jA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 7 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.43A 1t7jB-4njvA:
20.5		 1t7jB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 6 ARG A 105
SER A 119
ILE A 301
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.69A 1w0gA-5veuA:
50.7		 1w0gA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 5 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.35A 2aofA-4njvA:
21.1		 2aofA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOF_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 5 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.35A 2aofB-4njvA:
20.1		 2aofB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 5 LEU A  23
ASP A  25
GLY A  49
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.53A 2aohA-4njvA:
21.1		 2aohA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 5 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.33A 2aoiA-4njvA:
20.9		 2aoiA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 5 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.26A 2aoiB-4njvA:
20.3		 2aoiB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOJ_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 5 LEU A  23
ASP A  25
GLY A  49
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.45A 2aojA-4njvA:
21.0		 2aojA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.35A 2aquA-4njvA:
20.4		 2aquA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.76A 2aquB-4njvA:
20.4		 2aquB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.38A 2aquB-4njvA:
20.4		 2aquB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ARG A   8
LEU A  23
ASP A  25
ILE A  47
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.69A 2avoA-4njvA:
20.4		 2avoA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.69A 2avoA-4njvA:
20.4		 2avoA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.82A 2avoB-4njvA:
20.3		 2avoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.60A 2avoB-4njvA:
20.3		 2avoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 2avoB-4njvA:
20.3		 2avoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
 1.29A 2avsA-4njvA:
20.5		 2avsA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.42A 2avsA-4njvA:
20.5		 2avsA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.27A 2avsA-4njvA:
20.5		 2avsA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.43A 2avsB-4njvA:
20.1		 2avsB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 2avsB-4njvA:
20.1		 2avsB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2avsB-4njvA:
20.1		 2avsB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ASP A  29
GLY A  48
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.23A 2avvA-4njvA:
20.3		 2avvA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.38A 2avvA-4njvA:
20.3		 2avvA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.30A 2avvA-4njvA:
20.3		 2avvA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2avvB-4njvA:
20.5		 2avvB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 2avvB-4njvA:
20.5		 2avvB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.79A 2avvB-4njvA:
20.5		 2avvB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.71A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
 1.24A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.71A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.60A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.95A 2b60A-4njvA:
20.3		 2b60A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.39A 2b60A-4njvA:
20.3		 2b60A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 2b60A-4njvA:
20.3		 2b60A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B60_B_RITB100_2
(GAG-POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.86A 2b60B-4njvA:
20.4		 2b60B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B60_B_RITB100_2
(GAG-POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.34A 2b60B-4njvA:
20.4		 2b60B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ALA A  22
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 1.33A 2b7zA-4njvA:
20.3		 2b7zA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.43A 2b7zA-4njvA:
20.3		 2b7zA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.33A 2b7zA-4njvA:
20.3		 2b7zA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.35A 2b7zA-4njvA:
20.3		 2b7zA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ALA A  22
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 1.35A 2b7zB-4njvA:
20.1		 2b7zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.48A 2b7zB-4njvA:
20.1		 2b7zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.38A 2b7zB-4njvA:
20.1		 2b7zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.45A 2b7zB-4njvA:
20.1		 2b7zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.75A 2bpxB-4njvA:
19.6		 2bpxB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 2bpxB-4njvA:
19.6		 2bpxB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.68A 2bpxB-4njvA:
19.6		 2bpxB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F80_B_017B301_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 2f80A-4njvA:
21.2		 2f80A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F80_B_017B301_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.38A 2f80B-4njvA:
20.2		 2f80B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F81_A_017A302_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.78A 2f81A-4njvA:
21.2		 2f81A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F81_A_017A302_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 2f81A-4njvA:
21.2		 2f81A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F81_A_017A302_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.38A 2f81A-4njvA:
21.2		 2f81A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F81_A_017A302_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.71A 2f81B-4njvA:
20.2		 2f81B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F81_A_017A302_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.49A 2f81B-4njvA:
20.2		 2f81B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F81_A_017A302_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.41A 2f81B-4njvA:
20.2		 2f81B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.68A 2f8gA-4njvA:
21.2		 2f8gA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.43A 2f8gA-4njvA:
21.2		 2f8gA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.21A 2f8gA-4njvA:
21.2		 2f8gA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FXD_A_DR7A102_1
(POL PROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
ILE A  10
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.36A 2fxdA-4njvA:
19.5		 2fxdA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FXD_A_DR7A102_2
(POL PROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.42A 2fxdB-4njvA:
20.5		 2fxdB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FXE_A_DR7A102_2
(POL PROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 2fxeB-4njvA:
20.2		 2fxeB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS1_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.64A 2hs1A-4njvA:
18.3		 2hs1A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS1_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 2hs1A-4njvA:
18.3		 2hs1A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS1_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.64A 2hs1A-4njvA:
18.3		 2hs1A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS1_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 2hs1B-4njvA:
20.3		 2hs1B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS1_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.40A 2hs1B-4njvA:
20.3		 2hs1B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS2_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.63A 2hs2A-4njvA:
18.4		 2hs2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS2_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.28A 2hs2A-4njvA:
18.4		 2hs2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS2_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 2hs2A-4njvA:
18.4		 2hs2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS2_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.58A 2hs2A-4njvA:
18.4		 2hs2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS2_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.75A 2hs2B-4njvA:
20.7		 2hs2B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS2_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2hs2B-4njvA:
20.7		 2hs2B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HS2_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2hs2B-4njvA:
20.7		 2hs2B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IDW_B_017B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 2idwA-4njvA:
20.5		 2idwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IDW_B_017B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 2idwA-4njvA:
20.5		 2idwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IDW_B_017B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.68A 2idwB-4njvA:
20.2		 2idwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IDW_B_017B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.22A 2idwB-4njvA:
20.2		 2idwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IDW_B_017B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.42A 2idwB-4njvA:
20.2		 2idwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IDW_B_017B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.51A 2idwB-4njvA:
20.2		 2idwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEN_B_017B402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.61A 2ienB-4njvA:
20.1		 2ienB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEN_B_017B402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.33A 2ienB-4njvA:
20.1		 2ienB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEO_A_017A402_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.36A 2ieoA-4njvA:
21.2		 2ieoA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEO_A_017A402_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 1.05A 2ieoA-4njvA:
21.2		 2ieoA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEO_A_017A402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.74A 2ieoB-4njvA:
20.2		 2ieoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEO_A_017A402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.28A 2ieoB-4njvA:
20.2		 2ieoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEO_A_017A402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.52A 2ieoB-4njvA:
20.2		 2ieoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEO_A_017A402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.39A 2ieoB-4njvA:
20.2		 2ieoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IEO_A_017A402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.42A 2ieoB-4njvA:
20.2		 2ieoB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ARG A 106
ALA A 305
ALA A 370
ARG A 372
GLU A 374
 RIT  A 602 ( 4.0A)
HEM  A 601 (-3.4A)
RIT  A 602 (-3.3A)
None
RIT  A 602 ( 4.8A)
 1.00A 2j0dA-5veuA:
50.1		 2j0dA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ARG A 106
ALA A 305
THR A 309
ALA A 370
GLU A 374
 RIT  A 602 ( 4.0A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
RIT  A 602 ( 4.8A)
 0.92A 2j0dA-5veuA:
50.1		 2j0dA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ILE A 301
ALA A 305
ALA A 370
ARG A 372
GLU A 374
 RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
RIT  A 602 (-3.3A)
None
RIT  A 602 ( 4.8A)
 1.11A 2j0dA-5veuA:
50.1		 2j0dA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ILE A 301
ALA A 305
THR A 309
ALA A 370
GLU A 374
 RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
RIT  A 602 ( 4.8A)
 1.04A 2j0dA-5veuA:
50.1		 2j0dA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NMY_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.64A 2nmyA-4njvA:
20.1		 2nmyA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NMY_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.41A 2nmyA-4njvA:
20.1		 2nmyA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NMY_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.92A 2nmyA-4njvA:
20.1		 2nmyA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NMY_A_ROCA401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.42A 2nmyB-4njvA:
19.5		 2nmyB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NMY_A_ROCA401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 2nmyB-4njvA:
19.5		 2nmyB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NMY_A_ROCA401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.32A 2nmyB-4njvA:
19.5		 2nmyB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NMZ_B_ROCB401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		3 / 3 ARG A   8
VAL A  32
THR A  80
 RIT  A 500 (-3.2A)
None
None
 0.44A 2nmzA-4njvA:
20.5		 2nmzA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.81A 2nnkA-4njvA:
20.8		 2nnkA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.56A 2nnkA-4njvA:
20.8		 2nnkA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.45A 2nnkA-4njvA:
20.8		 2nnkA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
 0.46A 2nnkA-4njvA:
20.8		 2nnkA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.38A 2nnkB-4njvA:
20.0		 2nnkB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ASP A  29
ASP A  30
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.66A 2nnkB-4njvA:
20.0		 2nnkB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.44A 2nnkB-4njvA:
20.0		 2nnkB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 GLY A  27
ASP A  29
ASP A  30
GLY A  48
PRO A  81
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.81A 2nnkB-4njvA:
20.0		 2nnkB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.72A 2nnkB-4njvA:
20.0		 2nnkB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNK_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.63A 2nnkB-4njvA:
20.0		 2nnkB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNP_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.81A 2nnpA-4njvA:
20.4		 2nnpA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNP_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.49A 2nnpA-4njvA:
20.4		 2nnpA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNP_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 0.56A 2nnpA-4njvA:
20.4		 2nnpA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNP_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
None
RIT  A 500 (-3.9A)
 0.63A 2nnpA-4njvA:
20.4		 2nnpA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNP_A_ROCA401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.58A 2nnpB-4njvA:
20.2		 2nnpB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4K_A_DR7A301_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		12 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PHE A  53
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.28A 2o4kA-4njvA:
20.9		 2o4kA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4K_A_DR7A301_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.81A 2o4kB-4njvA:
20.3		 2o4kB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4K_A_DR7A301_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.34A 2o4kB-4njvA:
20.3		 2o4kB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4L_A_TPVA403_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 2o4lA-4njvA:
20.9		 2o4lA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4L_A_TPVA403_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.56A 2o4lA-4njvA:
20.9		 2o4lA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4L_A_TPVA403_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.44A 2o4lA-4njvA:
20.9		 2o4lA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4L_A_TPVA403_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.42A 2o4lA-4njvA:
20.9		 2o4lA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4N_A_TPVA300_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.66A 2o4nA-4njvA:
20.5		 2o4nA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4P_A_TPVA300_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.90A 2o4pA-4njvA:
20.9		 2o4pA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4P_A_TPVA300_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.69A 2o4pA-4njvA:
20.9		 2o4pA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4P_A_TPVA300_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.50A 2o4pA-4njvA:
20.9		 2o4pA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4P_A_TPVA300_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.56A 2o4pA-4njvA:
20.9		 2o4pA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4P_A_TPVA300_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.52A 2o4pB-4njvA:
19.9		 2o4pB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4S_A_AB1A400_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.74A 2o4sA-4njvA:
20.9		 2o4sA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4S_A_AB1A400_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.56A 2o4sA-4njvA:
20.9		 2o4sA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4S_A_AB1A400_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.79A 2o4sA-4njvA:
20.9		 2o4sA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4S_A_AB1A400_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2o4sA-4njvA:
20.9		 2o4sA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4S_A_AB1A400_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 2o4sB-4njvA:
20.1		 2o4sB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O4S_A_AB1A400_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 2o4sB-4njvA:
20.1		 2o4sB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.73A 2pymA-4njvA:
20.8		 2pymA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 2pymA-4njvA:
20.8		 2pymA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2pymB-4njvA:
20.9		 2pymB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.74A 2pynA-4njvA:
21.1		 2pynA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 2pynA-4njvA:
21.1		 2pynA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.39A 2pynB-4njvA:
21.1		 2pynB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q5K_A_AB1A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.78A 2q5kA-4njvA:
20.2		 2q5kA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q5K_A_AB1A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 2q5kA-4njvA:
20.2		 2q5kA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q5K_A_AB1A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
 0.59A 2q5kB-4njvA:
20.2		 2q5kB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q5K_A_AB1A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.50A 2q5kB-4njvA:
20.2		 2q5kB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 2q63B-4njvA:
20.9		 2q63B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.69A 2q64A-4njvA:
20.6		 2q64A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2q64A-4njvA:
20.6		 2q64A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		3 / 3 ASP A  29
THR A  80
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
 0.26A 2q64B-4njvA:
20.6		 2q64B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.40A 2qakB-4njvA:
20.9		 2qakB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.74A 2qhcA-4njvA:
20.4		 2qhcA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 2qhcA-4njvA:
20.4		 2qhcA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.63A 2qhcB-4njvA:
20.4		 2qhcB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.39A 2qhcB-4njvA:
20.4		 2qhcB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 2qhcB-4njvA:
20.4		 2qhcB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2qhcB-4njvA:
20.4		 2qhcB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_B_MK1B902_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 LEU A  23
ASP A  25
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.54A 2r5pA-4njvA:
20.3		 2r5pA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_B_MK1B902_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 2r5pA-4njvA:
20.3		 2r5pA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_B_MK1B902_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 2r5pA-4njvA:
20.3		 2r5pA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_B_MK1B902_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 2r5pB-4njvA:
20.6		 2r5pB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_B_MK1B902_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 2r5pB-4njvA:
20.6		 2r5pB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_D_MK1D902_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 LEU A  23
ASP A  25
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.54A 2r5pC-4njvA:
20.4		 2r5pC-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_D_MK1D902_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 2r5pC-4njvA:
20.4		 2r5pC-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_D_MK1D902_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 2r5pC-4njvA:
20.4		 2r5pC-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_D_MK1D902_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 2r5pD-4njvA:
20.6		 2r5pD-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_D_MK1D902_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 2r5pD-4njvA:
20.6		 2r5pD-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5P_D_MK1D902_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2r5pD-4njvA:
20.6		 2r5pD-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_B_1UNB900_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 LEU A  23
ASP A  25
GLY A  48
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.83A 2r5qA-4njvA:
20.1		 2r5qA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_B_1UNB900_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 2r5qA-4njvA:
20.1		 2r5qA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_B_1UNB900_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.93A 2r5qB-4njvA:
20.2		 2r5qB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_B_1UNB900_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 2r5qB-4njvA:
20.2		 2r5qB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_B_1UNB900_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 2r5qB-4njvA:
20.2		 2r5qB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_D_1UND900_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 LEU A  23
ASP A  25
GLY A  48
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.83A 2r5qC-4njvA:
20.1		 2r5qC-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_D_1UND900_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 2r5qC-4njvA:
20.1		 2r5qC-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_D_1UND900_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.92A 2r5qD-4njvA:
20.2		 2r5qD-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_D_1UND900_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 2r5qD-4njvA:
20.2		 2r5qD-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R5Q_D_1UND900_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 2r5qD-4njvA:
20.2		 2r5qD-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.72A 2rkfA-4njvA:
20.6		 2rkfA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.44A 2rkfA-4njvA:
20.6		 2rkfA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.38A 2rkfA-4njvA:
20.6		 2rkfA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RKG_B_AB1B501_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.70A 2rkgB-4njvA:
20.4		 2rkgB-4njvA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RKG_B_AB1B501_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.44A 2rkgB-4njvA:
20.4		 2rkgB-4njvA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RKG_B_AB1B501_2
(PROTEASE RETROPEPSIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.32A 2rkgB-4njvA:
20.4		 2rkgB-4njvA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 11 ARG A 105
SER A 119
ILE A 301
ALA A 305
GLU A 374
LEU A 481
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
RIT  A 602 ( 4.8A)
None
 0.67A 2v0mA-5veuA:
56.5		 2v0mA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 11 ARG A 105
SER A 119
ILE A 301
PHE A 304
ALA A 305
LEU A 481
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
None
 0.73A 2v0mA-5veuA:
56.5		 2v0mA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 11 PHE A 215
ARG A 105
ILE A 301
PHE A 304
ALA A 305
LEU A 481
 RIT  A 602 (-4.0A)
HEM  A 601 (-2.8A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
None
 1.49A 2v0mA-5veuA:
56.5		 2v0mA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 11 SER A 119
ILE A 301
PHE A 304
ALA A 305
ARG A 372
LEU A 481
 RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
None
None
 0.97A 2v0mA-5veuA:
56.5		 2v0mA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		7 / 12 ARG A 105
SER A 119
PHE A 241
ILE A 301
ALA A 305
THR A 309
GLU A 374
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 (-3.9A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 ( 4.8A)
 0.72A 2v0mC-5veuA:
48.7		 2v0mC-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 12 SER A 119
PHE A 241
ILE A 301
ALA A 305
THR A 309
ARG A 372
 RIT  A 602 (-3.7A)
RIT  A 602 (-3.9A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
None
 0.78A 2v0mC-5veuA:
48.7		 2v0mC-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		7 / 11 ARG A 105
SER A 119
ILE A 301
ALA A 305
THR A 309
GLU A 374
LEU A 481
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 ( 4.8A)
None
 0.65A 2v0mD-5veuA:
56.5		 2v0mD-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		7 / 11 ARG A 105
SER A 119
ILE A 301
PHE A 304
ALA A 305
THR A 309
LEU A 481
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
None
 0.65A 2v0mD-5veuA:
56.5		 2v0mD-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		7 / 11 SER A 119
ILE A 301
PHE A 304
ALA A 305
THR A 309
ARG A 372
LEU A 481
 RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
None
None
 0.95A 2v0mD-5veuA:
56.5		 2v0mD-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.64A 2z54A-4njvA:
20.5		 2z54A-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.38A 2z54A-4njvA:
20.5		 2z54A-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.41A 2z54A-4njvA:
20.5		 2z54A-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.75A 2z54B-4njvA:
20.6		 2z54B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2z54B-4njvA:
20.6		 2z54B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2z54B-4njvA:
20.6		 2z54B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3cywA-4njvA:
21.1		 3cywA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.70A 3cywB-4njvA:
20.2		 3cywB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.34A 3cywB-4njvA:
20.2		 3cywB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.57A 3cywB-4njvA:
20.2		 3cywB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 3cywB-4njvA:
20.2		 3cywB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.57A 3cyxA-4njvA:
20.9		 3cyxA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3cyxA-4njvA:
20.9		 3cyxA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 3cyxB-4njvA:
20.2		 3cyxB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.30A 3cyxB-4njvA:
20.2		 3cyxB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 4 LEU A  23
ASP A  29
VAL A  32
THR A  80
 None
RIT  A 500 (-3.2A)
None
None
 0.56A 3cyxB-4njvA:
20.2		 3cyxB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.85A 3d1xA-4njvA:
20.8		 3d1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.41A 3d1xA-4njvA:
20.8		 3d1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3d1xA-4njvA:
20.8		 3d1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 3d1xA-4njvA:
20.8		 3d1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.82A 3d1xB-4njvA:
20.3		 3d1xB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 3d1xB-4njvA:
20.3		 3d1xB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 3d1xB-4njvA:
20.3		 3d1xB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.85A 3d1yA-4njvA:
21.0		 3d1yA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.36A 3d1yA-4njvA:
21.0		 3d1yA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 3d1yA-4njvA:
21.0		 3d1yA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3d1yA-4njvA:
21.0		 3d1yA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.42A 3d1yB-4njvA:
20.0		 3d1yB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.67A 3d1yB-4njvA:
20.0		 3d1yB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3d1zA-4njvA:
20.9		 3d1zA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.76A 3d1zB-4njvA:
20.2		 3d1zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.26A 3d1zB-4njvA:
20.2		 3d1zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 3d1zB-4njvA:
20.2		 3d1zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.45A 3d1zB-4njvA:
20.2		 3d1zB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D20_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.57A 3d20A-4njvA:
21.1		 3d20A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D20_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3d20A-4njvA:
21.1		 3d20A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D20_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.77A 3d20B-4njvA:
20.0		 3d20B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D20_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.26A 3d20B-4njvA:
20.0		 3d20B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D20_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.56A 3d20B-4njvA:
20.0		 3d20B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D20_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.37A 3d20B-4njvA:
20.0		 3d20B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D20_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 3d20B-4njvA:
20.0		 3d20B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EBZ_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 3ebzA-4njvA:
18.8		 3ebzA-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EBZ_B_017B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.29A 3ebzB-4njvA:
18.6		 3ebzB-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EBZ_B_017B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.47A 3ebzB-4njvA:
18.6		 3ebzB-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EBZ_B_017B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.39A 3ebzB-4njvA:
18.6		 3ebzB-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_B_478B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.86A 3ekpB-4njvA:
19.9		 3ekpB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_B_478B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.24A 3ekpB-4njvA:
19.9		 3ekpB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_B_478B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3ekpB-4njvA:
19.9		 3ekpB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_C_478C200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.86A 3ekpC-4njvA:
20.5		 3ekpC-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_C_478C200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.22A 3ekpC-4njvA:
20.5		 3ekpC-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_C_478C200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3ekpC-4njvA:
20.5		 3ekpC-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_C_478C200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.81A 3ekpD-4njvA:
20.4		 3ekpD-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_C_478C200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.27A 3ekpD-4njvA:
20.4		 3ekpD-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKP_C_478C200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.52A 3ekpD-4njvA:
20.4		 3ekpD-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKQ_A_ROCA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 3ekqA-4njvA:
20.2		 3ekqA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKQ_A_ROCA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 3ekqA-4njvA:
20.2		 3ekqA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKQ_A_ROCA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.44A 3ekqA-4njvA:
20.2		 3ekqA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKQ_A_ROCA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 9 ARG A   8
LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 3ekqB-4njvA:
20.1		 3ekqB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_B_017B200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.82A 3ektA-4njvA:
20.5		 3ektA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_B_017B200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.26A 3ektA-4njvA:
20.5		 3ektA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_B_017B200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.46A 3ektA-4njvA:
20.5		 3ektA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_B_017B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.24A 3ektB-4njvA:
20.5		 3ektB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_B_017B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.88A 3ektB-4njvA:
20.5		 3ektB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_B_017B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3ektB-4njvA:
20.5		 3ektB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_D_017D200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.84A 3ektC-4njvA:
20.0		 3ektC-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_D_017D200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.19A 3ektC-4njvA:
20.0		 3ektC-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_D_017D200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.58A 3ektC-4njvA:
20.0		 3ektC-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_D_017D200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.79A 3ektD-4njvA:
20.0		 3ektD-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_D_017D200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3ektD-4njvA:
20.0		 3ektD-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKT_D_017D200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.45A 3ektD-4njvA:
20.0		 3ektD-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKV_A_478A200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.73A 3ekvA-4njvA:
20.1		 3ekvA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKV_A_478A200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.28A 3ekvA-4njvA:
20.1		 3ekvA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKV_A_478A200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.42A 3ekvA-4njvA:
20.1		 3ekvA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKV_A_478A200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.54A 3ekvA-4njvA:
20.1		 3ekvA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKV_A_478A200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3ekvB-4njvA:
20.3		 3ekvB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKV_A_478A200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.74A 3ekvB-4njvA:
20.3		 3ekvB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKW_B_DR7B100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.45A 3ekwA-4njvA:
20.3		 3ekwA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKW_B_DR7B100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.84A 3ekwA-4njvA:
20.3		 3ekwA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKW_B_DR7B100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.38A 3ekwA-4njvA:
20.3		 3ekwA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKW_B_DR7B100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.39A 3ekwB-4njvA:
20.0		 3ekwB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKW_B_DR7B100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.57A 3ekwB-4njvA:
20.0		 3ekwB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKX_B_1UNB201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.73A 3ekxA-4njvA:
20.1		 3ekxA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKX_B_1UNB201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 3ekxA-4njvA:
20.1		 3ekxA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKX_B_1UNB201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 3ekxA-4njvA:
20.1		 3ekxA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKX_B_1UNB201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.71A 3ekxB-4njvA:
20.3		 3ekxB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKX_B_1UNB201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 3ekxB-4njvA:
20.3		 3ekxB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKX_B_1UNB201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3ekxB-4njvA:
20.3		 3ekxB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKY_A_DR7A100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3ekyA-4njvA:
20.5		 3ekyA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EKY_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3ekyB-4njvA:
20.2		 3ekyB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL0_A_1UNA201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 3el0A-4njvA:
19.6		 3el0A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL0_A_1UNA201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 3el0B-4njvA:
20.0		 3el0B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL1_A_DR7A100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.68A 3el1A-4njvA:
20.7		 3el1A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL1_A_DR7A100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.30A 3el1A-4njvA:
20.7		 3el1A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL1_A_DR7A100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3el1A-4njvA:
20.7		 3el1A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL1_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.64A 3el1B-4njvA:
20.4		 3el1B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL1_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.48A 3el1B-4njvA:
20.4		 3el1B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL1_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 3el1B-4njvA:
20.4		 3el1B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL4_A_ROCA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.77A 3el4A-4njvA:
20.4		 3el4A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL4_A_ROCA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.51A 3el4A-4njvA:
20.4		 3el4A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL4_A_ROCA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.57A 3el4A-4njvA:
20.4		 3el4A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL4_A_ROCA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 9 ARG A   8
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.48A 3el4B-4njvA:
20.5		 3el4B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL4_A_ROCA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ALA A  28
VAL A  32
GLY A  48
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.80A 3el4B-4njvA:
20.5		 3el4B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL5_B_1UNB201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ALA A  28
ASP A  30
VAL A  32
GLY A  48
THR A  82
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.94A 3el5A-4njvA:
20.4		 3el5A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL5_B_1UNB201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.31A 3el5A-4njvA:
20.4		 3el5A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL5_B_1UNB201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.5A)
 0.57A 3el5A-4njvA:
20.4		 3el5A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL5_B_1UNB201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.49A 3el5A-4njvA:
20.4		 3el5A-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL5_B_1UNB201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.47A 3el5B-4njvA:
20.1		 3el5B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL5_B_1UNB201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.41A 3el5B-4njvA:
20.1		 3el5B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL5_B_1UNB201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.83A 3el5B-4njvA:
20.1		 3el5B-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL9_A_DR7A100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.57A 3el9A-4njvA:
20.1		 3el9A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL9_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.57A 3el9B-4njvA:
20.5		 3el9B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EL9_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ASP A  25
ALA A  28
ASP A  29
GLY A  48
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.75A 3el9B-4njvA:
20.5		 3el9B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM3_B_478B200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.74A 3em3A-4njvA:
20.3		 3em3A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM3_B_478B200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.45A 3em3A-4njvA:
20.3		 3em3A-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM3_B_478B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.94A 3em3B-4njvA:
20.5		 3em3B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM3_B_478B200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3em3B-4njvA:
20.5		 3em3B-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM4_A_DR7A100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.88A 3em4A-4njvA:
20.3		 3em4A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM4_A_DR7A100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.41A 3em4A-4njvA:
20.3		 3em4A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM4_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.73A 3em4B-4njvA:
20.6		 3em4B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM4_A_DR7A100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.44A 3em4B-4njvA:
20.6		 3em4B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM4_V_DR7V100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.34A 3em4U-4njvA:
20.7		 3em4U-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM4_V_DR7V100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3em4V-4njvA:
20.5		 3em4V-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM6_A_017A200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.43A 3em6B-4njvA:
20.5		 3em6B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EM6_A_017A200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3em6B-4njvA:
20.5		 3em6B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GGU_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.26A 3gguA-4njvA:
19.9		 3gguA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GGU_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.58A 3gguA-4njvA:
19.9		 3gguA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GGU_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.46A 3gguA-4njvA:
19.9		 3gguA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GGU_B_017B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.83A 3gguB-4njvA:
19.9		 3gguB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GGU_B_017B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.23A 3gguB-4njvA:
19.9		 3gguB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GGU_B_017B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.58A 3gguB-4njvA:
19.9		 3gguB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 3jvyA-4njvA:
21.2		 3jvyA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JVY_B_017B401_2
(GAG-POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.40A 3jvyB-4njvA:
20.1		 3jvyB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.74A 3k4vC-4njvA:
20.5		 3k4vC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.42A 3k4vC-4njvA:
20.5		 3k4vC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 3k4vC-4njvA:
20.5		 3k4vC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 3k4vC-4njvA:
20.5		 3k4vC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 4 GLY A  27
ASP A  29
GLY A  48
THR A  80
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.33A 3k4vC-4njvA:
20.5		 3k4vC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.94A 3k4vD-4njvA:
20.3		 3k4vD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 3k4vD-4njvA:
20.3		 3k4vD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 3k4vD-4njvA:
20.3		 3k4vD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		3 / 3 ARG A   8
VAL A  32
THR A  80
 RIT  A 500 (-3.2A)
None
None
 0.32A 3k4vD-4njvA:
20.3		 3k4vD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.73A 3lzsA-4njvA:
20.1		 3lzsA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 3lzsA-4njvA:
20.1		 3lzsA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.39A 3lzsA-4njvA:
20.1		 3lzsA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.78A 3lzsB-4njvA:
20.0		 3lzsB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 3lzsB-4njvA:
20.0		 3lzsB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 3lzsB-4njvA:
20.0		 3lzsB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.79A 3lzuA-4njvA:
20.0		 3lzuA-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 3lzuA-4njvA:
20.0		 3lzuA-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 3lzuA-4njvA:
20.0		 3lzuA-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.50A 3lzvA-4njvA:
19.8		 3lzvA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.75A 3lzvB-4njvA:
20.1		 3lzvB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 3lzvB-4njvA:
20.1		 3lzvB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.36A 3mwsA-4njvA:
19.7		 3mwsA-4njvA:
70.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.35A 3mwsA-4njvA:
19.7		 3mwsA-4njvA:
70.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.27A 3mwsB-4njvA:
19.5		 3mwsB-4njvA:
70.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.52A 3mwsB-4njvA:
19.5		 3mwsB-4njvA:
70.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3mwsB-4njvA:
19.5		 3mwsB-4njvA:
70.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N3I_A_ROCA201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.53A 3n3iA-4njvA:
14.3		 3n3iA-4njvA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N3I_A_ROCA201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.45A 3n3iA-4njvA:
14.3		 3n3iA-4njvA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_A_ROCA101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		3 / 3 ARG A   8
VAL A  32
THR A  80
 RIT  A 500 (-3.2A)
None
None
 0.58A 3ndtA-4njvA:
20.2		 3ndtA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.72A 3ndtC-4njvA:
20.5		 3ndtC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.56A 3ndtC-4njvA:
20.5		 3ndtC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.34A 3ndtC-4njvA:
20.5		 3ndtC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 3ndtC-4njvA:
20.5		 3ndtC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 3ndtC-4njvA:
20.5		 3ndtC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.86A 3ndtD-4njvA:
20.3		 3ndtD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3ndtD-4njvA:
20.3		 3ndtD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDT_D_ROCD100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3ndtD-4njvA:
20.3		 3ndtD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_A_ROCA101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3nduA-4njvA:
20.3		 3nduA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_A_ROCA101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3nduA-4njvA:
20.3		 3nduA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_A_ROCA101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.79A 3nduB-4njvA:
20.5		 3nduB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_A_ROCA101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 3nduB-4njvA:
20.5		 3nduB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_A_ROCA101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.35A 3nduB-4njvA:
20.5		 3nduB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ASP A  30
VAL A  32
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.61A 3nduC-4njvA:
20.5		 3nduC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.38A 3nduC-4njvA:
20.5		 3nduC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3nduC-4njvA:
20.5		 3nduC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_D_ROCD100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3nduC-4njvA:
20.5		 3nduC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_D_ROCD100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 3nduD-4njvA:
19.9		 3nduD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_D_ROCD100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 3nduD-4njvA:
19.9		 3nduD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDU_D_ROCD100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3nduD-4njvA:
19.9		 3nduD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDW_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.72A 3ndwA-4njvA:
20.5		 3ndwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDW_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.47A 3ndwA-4njvA:
20.5		 3ndwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDW_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.34A 3ndwA-4njvA:
20.5		 3ndwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDW_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 3ndwA-4njvA:
20.5		 3ndwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDW_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 3ndwA-4njvA:
20.5		 3ndwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDW_A_RITA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.36A 3ndwB-4njvA:
20.1		 3ndwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDW_A_RITA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.70A 3ndwB-4njvA:
20.1		 3ndwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.79A 3ndxA-4njvA:
20.5		 3ndxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.51A 3ndxA-4njvA:
20.5		 3ndxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.35A 3ndxA-4njvA:
20.5		 3ndxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3ndxA-4njvA:
20.5		 3ndxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3ndxA-4njvA:
20.5		 3ndxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.51A 3ndxB-4njvA:
20.3		 3ndxB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.38A 3ndxB-4njvA:
20.3		 3ndxB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NDX_A_RITA100_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.72A 3ndxB-4njvA:
20.3		 3ndxB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU3_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.84A 3nu3A-4njvA:
20.8		 3nu3A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU3_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3nu3A-4njvA:
20.8		 3nu3A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU3_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.85A 3nu3B-4njvA:
19.7		 3nu3B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU3_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.25A 3nu3B-4njvA:
19.7		 3nu3B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU3_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.49A 3nu3B-4njvA:
19.7		 3nu3B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU3_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.36A 3nu3B-4njvA:
19.7		 3nu3B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU4_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3nu4A-4njvA:
20.9		 3nu4A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU4_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.81A 3nu4A-4njvA:
20.9		 3nu4A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU4_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.26A 3nu4B-4njvA:
19.5		 3nu4B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU4_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.46A 3nu4B-4njvA:
19.5		 3nu4B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU4_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.33A 3nu4B-4njvA:
19.5		 3nu4B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU5_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.53A 3nu5B-4njvA:
19.9		 3nu5B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU5_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.39A 3nu5B-4njvA:
19.9		 3nu5B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU6_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3nu6A-4njvA:
20.7		 3nu6A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU6_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.76A 3nu6A-4njvA:
20.7		 3nu6A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU6_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.29A 3nu6B-4njvA:
20.1		 3nu6B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU6_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.45A 3nu6B-4njvA:
20.1		 3nu6B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU6_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.33A 3nu6B-4njvA:
20.1		 3nu6B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU9_A_478A401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.42A 3nu9A-4njvA:
21.0		 3nu9A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU9_A_478A401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.97A 3nu9B-4njvA:
20.1		 3nu9B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU9_A_478A401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
 0.48A 3nu9B-4njvA:
20.1		 3nu9B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NU9_A_478A401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.26A 3nu9B-4njvA:
20.1		 3nu9B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUJ_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.45A 3nujA-4njvA:
21.0		 3nujA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUJ_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.83A 3nujA-4njvA:
21.0		 3nujA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUJ_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.81A 3nujB-4njvA:
19.8		 3nujB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUJ_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.25A 3nujB-4njvA:
19.8		 3nujB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUJ_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.45A 3nujB-4njvA:
19.8		 3nujB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUJ_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.34A 3nujB-4njvA:
19.8		 3nujB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUO_B_478B478_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.44A 3nuoA-4njvA:
20.9		 3nuoA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUO_B_478B478_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.84A 3nuoA-4njvA:
20.9		 3nuoA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUO_B_478B478_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.84A 3nuoB-4njvA:
19.8		 3nuoB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUO_B_478B478_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.25A 3nuoB-4njvA:
19.8		 3nuoB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUO_B_478B478_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.46A 3nuoB-4njvA:
19.8		 3nuoB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NUO_B_478B478_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.37A 3nuoB-4njvA:
19.8		 3nuoB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 PHE A 215
PHE A 241
PHE A 304
ALA A 305
GLY A 480
 RIT  A 602 (-4.0A)
RIT  A 602 (-3.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
RIT  A 602 ( 3.7A)
 1.06A 3nxuA-5veuA:
49.3		 3nxuA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 SER A 119
ILE A 301
ALA A 305
ALA A 370
GLY A 480
 RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
RIT  A 602 (-3.3A)
RIT  A 602 ( 3.7A)
 0.87A 3nxuA-5veuA:
49.3		 3nxuA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 12 SER A 119
PHE A 241
ILE A 301
PHE A 304
ALA A 305
GLY A 480
 RIT  A 602 (-3.7A)
RIT  A 602 (-3.9A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
RIT  A 602 ( 3.7A)
 0.48A 3nxuA-5veuA:
49.3		 3nxuA-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 MET A 114
PHE A 215
PHE A 241
PHE A 304
ALA A 305
 None
RIT  A 602 (-4.0A)
RIT  A 602 (-3.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
 0.77A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 MET A 114
SER A 119
ILE A 301
ALA A 305
ALA A 370
 None
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
RIT  A 602 (-3.3A)
 0.73A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		6 / 12 MET A 114
SER A 119
PHE A 241
ILE A 301
PHE A 304
ALA A 305
 None
RIT  A 602 (-3.7A)
RIT  A 602 (-3.9A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
 0.41A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 9 ARG A 105
THR A 309
LEU A 373
GLU A 374
GLY A 480
 HEM  A 601 (-2.8A)
HEM  A 601 ( 3.5A)
HEM  A 601 ( 4.2A)
RIT  A 602 ( 4.8A)
RIT  A 602 ( 3.7A)
 0.85A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGP_A_017A200_1
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
 0.58A 3ogpA-4njvA:
15.1		 3ogpA-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGP_A_017A200_1
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.45A 3ogpA-4njvA:
15.1		 3ogpA-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGP_A_017A200_2
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.46A 3ogpB-4njvA:
15.2		 3ogpB-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGP_B_017B200_1
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.56A 3ogpA-4njvA:
15.1		 3ogpA-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGP_B_017B200_2
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.77A 3ogpB-4njvA:
15.2		 3ogpB-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGP_B_017B200_2
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.41A 3ogpB-4njvA:
15.2		 3ogpB-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  48
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
 0.94A 3ogqA-4njvA:
15.0		 3ogqA-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  49
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
 0.52A 3ogqA-4njvA:
15.0		 3ogqA-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.51A 3ogqA-4njvA:
15.0		 3ogqA-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OGQ_A_AB1A200_2
(FIV PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.58A 3ogqB-4njvA:
14.9		 3ogqB-4njvA:
32.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.70A 3oxcA-4njvA:
19.8		 3oxcA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3oxcA-4njvA:
19.8		 3oxcA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.36A 3oxcA-4njvA:
19.8		 3oxcA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 3oxcA-4njvA:
19.8		 3oxcA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		3 / 3 ARG A   8
LEU A  23
THR A  80
 RIT  A 500 (-3.2A)
None
None
 0.53A 3oxcA-4njvA:
19.8		 3oxcA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.32A 3oxcB-4njvA:
19.9		 3oxcB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 3oxcB-4njvA:
19.9		 3oxcB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXC_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.41A 3oxcB-4njvA:
19.9		 3oxcB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.42A 3oxvA-4njvA:
20.8		 3oxvA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.21A 3oxvA-4njvA:
20.8		 3oxvA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 3oxvB-4njvA:
20.6		 3oxvB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.78A 3oxvB-4njvA:
20.6		 3oxvB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.74A 3oxvC-4njvA:
20.9		 3oxvC-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.40A 3oxvC-4njvA:
20.9		 3oxvC-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.28A 3oxvC-4njvA:
20.9		 3oxvC-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.93A 3oxvD-4njvA:
20.7		 3oxvD-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3oxvD-4njvA:
20.7		 3oxvD-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.72A 3oxwA-4njvA:
21.0		 3oxwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.40A 3oxwA-4njvA:
21.0		 3oxwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
 0.27A 3oxwA-4njvA:
21.0		 3oxwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.92A 3oxwB-4njvA:
20.7		 3oxwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.27A 3oxwB-4njvA:
20.7		 3oxwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 3oxwB-4njvA:
20.7		 3oxwB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.82A 3oxwC-4njvA:
20.9		 3oxwC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
 0.53A 3oxwC-4njvA:
20.9		 3oxwC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.95A 3oxwD-4njvA:
20.8		 3oxwD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.19A 3oxwD-4njvA:
20.8		 3oxwD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 3oxwD-4njvA:
20.8		 3oxwD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 3oxxA-4njvA:
20.5		 3oxxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXX_A_DR7A100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 3oxxB-4njvA:
20.8		 3oxxB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.40A 3oxxC-4njvA:
20.5		 3oxxC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXX_C_DR7C100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.41A 3oxxD-4njvA:
20.4		 3oxxD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ASP A  25
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.82A 3oy4A-4njvA:
20.3		 3oy4A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.39A 3oy4A-4njvA:
20.3		 3oy4A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 3oy4A-4njvA:
20.3		 3oy4A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.71A 3oy4B-4njvA:
19.9		 3oy4B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.26A 3oy4B-4njvA:
19.9		 3oy4B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.47A 3oy4B-4njvA:
19.9		 3oy4B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.47A 3oy4B-4njvA:
19.9		 3oy4B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWM_B_017B402_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3pwmA-4njvA:
21.1		 3pwmA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWM_B_017B402_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.33A 3pwmA-4njvA:
21.1		 3pwmA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWM_B_017B402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.75A 3pwmB-4njvA:
20.0		 3pwmB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWM_B_017B402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.47A 3pwmB-4njvA:
20.0		 3pwmB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWM_B_017B402_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.39A 3pwmB-4njvA:
20.0		 3pwmB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWR_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.88A 3pwrA-4njvA:
20.9		 3pwrA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWR_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.56A 3pwrA-4njvA:
20.9		 3pwrA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWR_A_ROCA401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 3pwrA-4njvA:
20.9		 3pwrA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWR_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.73A 3pwrB-4njvA:
20.3		 3pwrB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWR_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.55A 3pwrB-4njvA:
20.3		 3pwrB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWR_A_ROCA401_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.24A 3pwrB-4njvA:
20.3		 3pwrB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S43_A_478A401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.41A 3s43A-4njvA:
21.0		 3s43A-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S43_A_478A401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.28A 3s43B-4njvA:
19.7		 3s43B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S43_A_478A401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.49A 3s43B-4njvA:
19.7		 3s43B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S43_A_478A401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.29A 3s43B-4njvA:
19.7		 3s43B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S45_B_478B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.98A 3s45A-4njvA:
18.7		 3s45A-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S45_B_478B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 3s45A-4njvA:
18.7		 3s45A-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S45_B_478B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.68A 3s45B-4njvA:
18.5		 3s45B-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S45_B_478B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.48A 3s45B-4njvA:
18.5		 3s45B-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S45_B_478B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.48A 3s45B-4njvA:
18.5		 3s45B-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S45_B_478B201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.40A 3s45B-4njvA:
18.5		 3s45B-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S53_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.70A 3s53A-4njvA:
18.5		 3s53A-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S53_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.46A 3s53A-4njvA:
18.5		 3s53A-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S53_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3s53B-4njvA:
20.5		 3s53B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S56_A_ROCA201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.57A 3s56A-4njvA:
19.5		 3s56A-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S56_A_ROCA201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
 0.47A 3s56A-4njvA:
19.5		 3s56A-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S56_A_ROCA201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.92A 3s56A-4njvA:
19.5		 3s56A-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S56_A_ROCA201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.30A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S56_A_ROCA201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ARG A   8
LEU A  23
ASP A  25
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.72A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S56_A_ROCA201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S56_A_ROCA201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.76A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ASP A  25
ALA A  28
VAL A  32
GLY A  49
LEU A  76
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
None
RIT  A 500 (-3.9A)
 1.05A 3sm2B-4njvA:
11.2		 3sm2B-4njvA:
25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.68A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.59A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.65A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.52A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.70A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.77A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.92A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.93A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.79A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ALA A  28
VAL A  32
GLY A  49
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.92A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.74A 3spkB-4njvA:
20.1		 3spkB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.73A 3spkB-4njvA:
20.1		 3spkB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.65A 3spkB-4njvA:
20.1		 3spkB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.52A 3t3cA-4njvA:
18.4		 3t3cA-4njvA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.3A)
 0.45A 3t3cA-4njvA:
18.4		 3t3cA-4njvA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3C_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.54A 3t3cB-4njvA:
18.7		 3t3cB-4njvA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_B_ROCB801_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.66A 3tkgA-4njvA:
20.6		 3tkgA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_B_ROCB801_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.81A 3tkgA-4njvA:
20.6		 3tkgA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_B_ROCB801_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.46A 3tkgA-4njvA:
20.6		 3tkgA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_B_ROCB801_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.33A 3tkgA-4njvA:
20.6		 3tkgA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_B_ROCB801_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.76A 3tkgB-4njvA:
19.9		 3tkgB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_B_ROCB801_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3tkgB-4njvA:
19.9		 3tkgB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_B_ROCB801_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 3tkgB-4njvA:
19.9		 3tkgB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_C_ROCC901_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 3tkgC-4njvA:
20.2		 3tkgC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_C_ROCC901_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 3tkgC-4njvA:
20.2		 3tkgC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_C_ROCC901_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.89A 3tkgC-4njvA:
20.2		 3tkgC-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_C_ROCC901_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.41A 3tkgD-4njvA:
20.5		 3tkgD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_C_ROCC901_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.60A 3tkgD-4njvA:
20.5		 3tkgD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKG_C_ROCC901_3
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		3 / 3 ASP A  29
THR A  80
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
 0.20A 3tkgD-4njvA:
20.5		 3tkgD-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKW_B_017B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.79A 3tkwA-4njvA:
21.3		 3tkwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKW_B_017B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.29A 3tkwA-4njvA:
21.3		 3tkwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKW_B_017B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.42A 3tkwA-4njvA:
21.3		 3tkwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TKW_B_017B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.35A 3tkwA-4njvA:
21.3		 3tkwA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.81A 3ttpA-4njvA:
19.7		 3ttpA-4njvA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 3ttpA-4njvA:
19.7		 3ttpA-4njvA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.27A 3ttpB-4njvA:
19.7		 3ttpB-4njvA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.81A 3ttpB-4njvA:
19.7		 3ttpB-4njvA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3ttpB-4njvA:
19.7		 3ttpB-4njvA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.80A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.24A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.46A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.32A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ARG A   8
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.51A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.85A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.67A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A201_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ASP A  30
ILE A  47
GLY A  49
ILE A  50
LEU A  23
 RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 1.08A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A202_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  48
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.95A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A202_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.24A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A202_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
 0.64A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A202_1
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.68A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.88A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.50A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ARG A 105
ARG A 106
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
RIT  A 602 ( 4.0A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.92A 3ua1A-5veuA:
52.7		 3ua1A-5veuA:
83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.89A 3ua1A-5veuA:
52.7		 3ua1A-5veuA:
83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 ARG A 106
PHE A 304
ALA A 305
THR A 309
ALA A 370
 RIT  A 602 ( 4.0A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 1.07A 3ua1A-5veuA:
52.7		 3ua1A-5veuA:
83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UCB_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.53A 3ucbA-4njvA:
18.6		 3ucbA-4njvA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UCB_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.48A 3ucbB-4njvA:
20.0		 3ucbB-4njvA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.87A 3ufnA-4njvA:
18.8		 3ufnA-4njvA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
 0.48A 3ufnA-4njvA:
18.8		 3ufnA-4njvA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 7 ARG A   8
ASP A  25
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.43A 3ufnB-4njvA:
20.0		 3ufnB-4njvA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WSJ_A_MK1A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.3A)
 0.55A 3wsjA-4njvA:
12.8		 3wsjA-4njvA:
33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WSJ_A_MK1A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
LEU A  76
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
None
RIT  A 500 (-4.3A)
 0.75A 3wsjA-4njvA:
12.8		 3wsjA-4njvA:
33.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.93A 4dqbA-4njvA:
20.5		 4dqbA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.58A 4dqbA-4njvA:
20.5		 4dqbA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.65A 4dqbB-4njvA:
20.3		 4dqbB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.21A 4dqbB-4njvA:
20.3		 4dqbB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.44A 4dqbB-4njvA:
20.3		 4dqbB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.47A 4dqbB-4njvA:
20.3		 4dqbB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 4dqcA-4njvA:
20.3		 4dqcA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 4dqcA-4njvA:
20.3		 4dqcA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.65A 4dqcB-4njvA:
20.5		 4dqcB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.20A 4dqcB-4njvA:
20.5		 4dqcB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.53A 4dqcB-4njvA:
20.5		 4dqcB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.38A 4dqcB-4njvA:
20.5		 4dqcB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.32A 4dqeA-4njvA:
20.5		 4dqeA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.97A 4dqeA-4njvA:
20.5		 4dqeA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 4dqeA-4njvA:
20.5		 4dqeA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.71A 4dqeB-4njvA:
20.4		 4dqeB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.21A 4dqeB-4njvA:
20.4		 4dqeB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.42A 4dqeB-4njvA:
20.4		 4dqeB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.43A 4dqeB-4njvA:
20.4		 4dqeB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.82A 4dqfA-4njvA:
18.7		 4dqfA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.39A 4dqfA-4njvA:
18.7		 4dqfA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 4dqfA-4njvA:
18.7		 4dqfA-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.67A 4dqfB-4njvA:
19.3		 4dqfB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.24A 4dqfB-4njvA:
19.3		 4dqfB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.45A 4dqfB-4njvA:
19.3		 4dqfB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.50A 4dqfB-4njvA:
19.3		 4dqfB-4njvA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.37A 4dqhA-4njvA:
20.5		 4dqhA-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.98A 4dqhA-4njvA:
20.5		 4dqhA-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.57A 4dqhA-4njvA:
20.5		 4dqhA-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.70A 4dqhB-4njvA:
20.3		 4dqhB-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.22A 4dqhB-4njvA:
20.3		 4dqhB-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.42A 4dqhB-4njvA:
20.3		 4dqhB-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.48A 4dqhB-4njvA:
20.3		 4dqhB-4njvA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLA_A_017A200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.72A 4hlaA-4njvA:
20.7		 4hlaA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLA_A_017A200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 4hlaA-4njvA:
20.7		 4hlaA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLA_A_017A200_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 4hlaA-4njvA:
20.7		 4hlaA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLA_A_017A200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.76A 4hlaB-4njvA:
20.5		 4hlaB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLA_A_017A200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 4hlaB-4njvA:
20.5		 4hlaB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HLA_A_017A200_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 4hlaB-4njvA:
20.5		 4hlaB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J5J_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.51A 4j5jB-4njvA:
19.7		 4j5jB-4njvA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JEC_B_478B401_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.33A 4jecB-4njvA:
21.0		 4jecB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.78A 4l1aA-4njvA:
17.8		 4l1aA-4njvA:
88.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 6 ARG A   8
ASP A  29
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.88A 4l1aB-4njvA:
17.7		 4l1aB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 6 ARG A   8
GLY A  52
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.91A 4l1aB-4njvA:
17.7		 4l1aB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.88A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.24A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.54A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A201_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.35A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A202_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.87A 4ll3A-4njvA:
20.6		 4ll3A-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A202_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.21A 4ll3A-4njvA:
20.6		 4ll3A-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A202_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.50A 4ll3A-4njvA:
20.6		 4ll3A-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A202_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.37A 4ll3A-4njvA:
20.6		 4ll3A-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A202_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ARG A   8
ASP A  25
ALA A  28
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LL3_A_017A202_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.92A 4ll3B-4njvA:
20.6		 4ll3B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_B_017B101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ASP A  25
ALA A  28
GLY A  48
PRO A  81
THR A  82
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.79A 4njtA-4njvA:
21.7		 4njtA-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_B_017B101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.50A 4njtA-4njvA:
21.7		 4njtA-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_B_017B101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  82
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.79A 4njtB-4njvA:
20.7		 4njtB-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_B_017B101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.22A 4njtB-4njvA:
20.7		 4njtB-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_B_017B101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.5A)
 0.57A 4njtB-4njvA:
20.7		 4njtB-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_B_017B101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.52A 4njtB-4njvA:
20.7		 4njtB-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_D_017D101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.39A 4njtC-4njvA:
21.7		 4njtC-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_D_017D101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.50A 4njtC-4njvA:
21.7		 4njtC-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_D_017D101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  48
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.93A 4njtC-4njvA:
21.7		 4njtC-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_D_017D101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.5A)
 0.55A 4njtD-4njvA:
20.7		 4njtD-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJT_D_017D101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  50
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.51A 4njtD-4njvA:
20.7		 4njtD-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_A_TPVA500_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.86A 4njuA-4njvA:
21.6		 4njuA-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_A_TPVA500_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		12 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.56A 4njuA-4njvA:
21.6		 4njuA-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_A_TPVA500_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.47A 4njuA-4njvA:
21.6		 4njuA-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_A_TPVA500_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
VAL A  32
GLY A  48
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.77A 4njuB-4njvA:
20.4		 4njuB-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_A_TPVA500_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.75A 4njuB-4njvA:
20.4		 4njuB-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_A_TPVA500_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.94A 4njuB-4njvA:
20.4		 4njuB-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_C_TPVC500_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.86A 4njuC-4njvA:
21.6		 4njuC-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_C_TPVC500_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		12 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.56A 4njuC-4njvA:
21.6		 4njuC-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_C_TPVC500_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.49A 4njuC-4njvA:
21.6		 4njuC-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_C_TPVC500_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ALA A  28
VAL A  32
GLY A  48
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.77A 4njuD-4njvA:
20.5		 4njuD-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_C_TPVC500_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.75A 4njuD-4njvA:
20.5		 4njuD-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJU_C_TPVC500_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.95A 4njuD-4njvA:
20.5		 4njuD-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.26A 4q1wA-4njvA:
20.1		 4q1wA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.44A 4q1wA-4njvA:
20.1		 4q1wA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.48A 4q1wA-4njvA:
20.1		 4q1wA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.50A 4q1wB-4njvA:
20.3		 4q1wB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.81A 4q1wB-4njvA:
20.3		 4q1wB-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.69A 4q1xA-4njvA:
20.1		 4q1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.27A 4q1xA-4njvA:
20.1		 4q1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.40A 4q1xA-4njvA:
20.1		 4q1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.56A 4q1xA-4njvA:
20.1		 4q1xA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.70A 4q1yA-4njvA:
20.2		 4q1yA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.29A 4q1yA-4njvA:
20.2		 4q1yA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.45A 4q1yA-4njvA:
20.2		 4q1yA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.48A 4q1yA-4njvA:
20.2		 4q1yA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 4q1yB-4njvA:
20.3		 4q1yB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q5M_A_ROCA1101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
 0.48A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q5M_A_ROCA1101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ARG A   8
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.40A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q5M_A_ROCA1101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QGI_A_ROCA101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
 0.85A 4qgiA-4njvA:
20.5		 4qgiA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QGI_A_ROCA101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.54A 4qgiA-4njvA:
20.5		 4qgiA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QGI_A_ROCA101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 0.46A 4qgiA-4njvA:
20.5		 4qgiA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QGI_A_ROCA101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 11 ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.64A 4qgiB-4njvA:
19.6		 4qgiB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QGI_A_ROCA101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.45A 4qgiB-4njvA:
19.6		 4qgiB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QGI_A_ROCA101_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 11 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.73A 4qgiB-4njvA:
19.6		 4qgiB-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_B_478B101_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.56A 4rvjA-4njvA:
21.3		 4rvjA-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_B_478B101_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.96A 4rvjA-4njvA:
21.3		 4rvjA-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.80A 4rvjB-4njvA:
20.0		 4rvjB-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.28A 4rvjB-4njvA:
20.0		 4rvjB-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.46A 4rvjB-4njvA:
20.0		 4rvjB-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.40A 4rvjB-4njvA:
20.0		 4rvjB-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_D_478D101_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 11 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.53A 4rvjC-4njvA:
21.3		 4rvjC-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_D_478D101_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
THR A  82
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.96A 4rvjC-4njvA:
21.3		 4rvjC-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.80A 4rvjD-4njvA:
20.0		 4rvjD-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.27A 4rvjD-4njvA:
20.0		 4rvjD-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.45A 4rvjD-4njvA:
20.0		 4rvjD-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.40A 4rvjD-4njvA:
20.0		 4rvjD-4njvA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 6 ASP A  29
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.41A 4yoaA-4njvA:
18.5		 4yoaA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E5J_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.68A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E5J_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.20A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E5J_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.37A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E5J_A_017A201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.30A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E5K_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.73A 5e5kB-4njvA:
21.1		 5e5kB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E5K_B_017B201_2
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.42A 5e5kB-4njvA:
21.1		 5e5kB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.78A 5kqxA-4njvA:
20.9		 5kqxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 5kqxA-4njvA:
20.9		 5kqxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.60A 5kqxA-4njvA:
20.9		 5kqxA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 9 ARG A   8
LEU A  23
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.67A 5kqxB-4njvA:
20.0		 5kqxB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 5kqyA-4njvA:
21.2		 5kqyA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.38A 5kqyA-4njvA:
21.2		 5kqyA-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 7 ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.67A 5kqyB-4njvA:
20.0		 5kqyB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		4 / 7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.47A 5kqyB-4njvA:
20.0		 5kqyB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 7 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.43A 5kqyB-4njvA:
20.0		 5kqyB-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.44A 5kr0A-4njvA:
21.2		 5kr0A-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR0_A_478A101_2
(PROTEASE E35D-APV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 LEU A  23
GLY A  27
ALA A  28
ASP A  30
VAL A  32
 None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
 0.42A 5kr0B-4njvA:
19.8		 5kr0B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR0_A_478A101_2
(PROTEASE E35D-APV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 LEU A  23
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.41A 5kr0B-4njvA:
19.8		 5kr0B-4njvA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR1_B_017B101_1
(PROTEASE PR5-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.71A 5kr1A-4njvA:
20.2		 5kr1A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR1_B_017B101_1
(PROTEASE PR5-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.45A 5kr1A-4njvA:
20.2		 5kr1A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 8 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.63A 5kr1B-4njvA:
20.2		 5kr1B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 8 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.46A 5kr1B-4njvA:
20.2		 5kr1B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 8 GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.54A 5kr1B-4njvA:
20.2		 5kr1B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.78A 5kr2A-4njvA:
19.6		 5kr2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
None
 0.74A 5kr2A-4njvA:
19.6		 5kr2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 0.59A 5kr2A-4njvA:
19.6		 5kr2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  29
ILE A  47
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
None
RIT  A 500 (-3.9A)
 0.58A 5kr2A-4njvA:
19.6		 5kr2A-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_A_ROCA101_2
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 ARG A   8
LEU A  23
ALA A  28
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.06A 5kr2B-4njvA:
20.3		 5kr2B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_A_ROCA101_2
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 11 LEU A  23
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.85A 5kr2B-4njvA:
20.3		 5kr2B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.70A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 9 ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 1.16A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 0.58A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 9 ALA A  28
ASP A  29
ILE A  47
GLY A  49
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
None
RIT  A 500 (-3.9A)
 0.80A 5kr2C-4njvA:
19.8		 5kr2C-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 9 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 5kr2D-4njvA:
20.4		 5kr2D-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T2Z_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.73A 5t2zA-4njvA:
19.9		 5t2zA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T2Z_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.03A 5t2zA-4njvA:
19.9		 5t2zA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T2Z_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 5t2zA-4njvA:
19.9		 5t2zA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T2Z_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.44A 5t2zA-4njvA:
19.9		 5t2zA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T2Z_B_017B201_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 5t2zA-4njvA:
19.9		 5t2zA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T8H_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.37A 5t8hA-4njvA:
20.1		 5t8hA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T8H_B_478B401_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.39A 5t8hA-4njvA:
20.1		 5t8hA-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T8H_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.42A 5t8hB-4njvA:
21.2		 5t8hB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T8H_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.37A 5t8hB-4njvA:
21.2		 5t8hB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T8H_B_478B401_2
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.88A 5t8hB-4njvA:
21.2		 5t8hB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		4 / 8 ARG A 105
ALA A 305
ALA A 370
LEU A 481
 HEM  A 601 (-2.8A)
HEM  A 601 (-3.4A)
RIT  A 602 (-3.3A)
None
 0.71A 5te8B-5veuA:
26.1		 5te8B-5veuA:
83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		4 / 8 ARG A 105
SER A 119
ALA A 370
LEU A 481
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 (-3.3A)
None
 0.80A 5te8B-5veuA:
26.1		 5te8B-5veuA:
83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		7 / 12 SER A 119
PHE A 241
ILE A 301
PHE A 304
ALA A 305
THR A 309
ALA A 370
 RIT  A 602 (-3.7A)
RIT  A 602 (-3.9A)
RIT  A 602 ( 4.9A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.74A 5vceA-5veuA:
53.9		 5vceA-5veuA:
82.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 12 PHE A 304
ALA A 305
THR A 309
ALA A 370
GLU A 374
 RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
RIT  A 602 ( 4.8A)
 1.05A 5vcgA-5veuA:
52.9		 5vcgA-5veuA:
82.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DGX_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.64A 6dgxA-4njvA:
20.5		 6dgxA-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DGX_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.20A 6dgxA-4njvA:
20.5		 6dgxA-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DGX_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.38A 6dgxA-4njvA:
20.5		 6dgxA-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DGX_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.48A 6dgxA-4njvA:
20.5		 6dgxA-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DGX_A_017A101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
LEU A  76
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 6dgxB-4njvA:
20.4		 6dgxB-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH0_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.62A 6dh0A-4njvA:
20.3		 6dh0A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH0_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.21A 6dh0A-4njvA:
20.3		 6dh0A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH0_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.39A 6dh0A-4njvA:
20.3		 6dh0A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH0_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.54A 6dh0A-4njvA:
20.3		 6dh0A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH0_A_017A101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
LEU A  76
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
 0.43A 6dh0B-4njvA:
20.4		 6dh0B-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH3_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.65A 6dh3A-4njvA:
20.4		 6dh3A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH3_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.21A 6dh3A-4njvA:
20.4		 6dh3A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH3_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.38A 6dh3A-4njvA:
20.4		 6dh3A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH3_A_017A101_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.47A 6dh3A-4njvA:
20.4		 6dh3A-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH3_A_017A101_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.47A 6dh3B-4njvA:
20.5		 6dh3B-4njvA:
88.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH6_A_017A104_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.39A 6dh6A-4njvA:
20.5		 6dh6A-4njvA:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH6_A_017A104_0
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.47A 6dh6A-4njvA:
20.5		 6dh6A-4njvA:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DH6_A_017A104_1
(PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		11 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
LEU A  76
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 6dh6B-4njvA:
20.4		 6dh6B-4njvA:
87.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.60A 6difA-4njvA:
21.1		 6difA-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 6difA-4njvA:
21.1		 6difA-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.42A 6difA-4njvA:
21.1		 6difA-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.45A 6difA-4njvA:
21.1		 6difA-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.43A 6difB-4njvA:
19.9		 6difB-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.58A 6difB-4njvA:
19.9		 6difB-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.41A 6difB-4njvA:
19.9		 6difB-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.92A 6dilA-4njvA:
21.1		 6dilA-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		8 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.71A 6dilA-4njvA:
21.1		 6dilA-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.50A 6dilA-4njvA:
21.1		 6dilA-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 12 ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.39A 6dj1A-4njvA:
21.0		 6dj1A-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.74A 6dj1A-4njvA:
21.0		 6dj1A-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.59A 6dj1A-4njvA:
21.0		 6dj1A-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		7 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.79A 6dj1A-4njvA:
21.0		 6dj1A-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 6dj1A-4njvA:
21.0		 6dj1A-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ1_B_AB1B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.83A 6dj1B-4njvA:
20.1		 6dj1B-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ1_B_AB1B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.58A 6dj1B-4njvA:
20.1		 6dj1B-4njvA:
86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		6 / 10 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.82A 6dj2A-4njvA:
20.8		 6dj2A-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		9 / 10 ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 6dj2A-4njvA:
20.8		 6dj2A-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		5 / 12 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.83A 6dj2B-4njvA:
20.0		 6dj2B-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.57A 6dj2B-4njvA:
20.0		 6dj2B-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)		 4njv PROTEASE
(Human
immunodeficiency
virus
1) 		10 / 12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.54A 6dj2B-4njvA:
20.0		 6dj2B-4njvA:
85.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		5 / 6 ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.75A 6ma6A-5veuA:
52.3		 6ma6A-5veuA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		4 / 7 ARG A 105
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.70A 6ma7A-5veuA:
52.0		 6ma7A-5veuA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 5veu CYTOCHROME P450 3A5
(Homo
sapiens) 		4 / 7 ARG A 105
SER A 119
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.66A 6ma7A-5veuA:
52.0		 6ma7A-5veuA:
76.25