SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3t50'

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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		9 / 12 ASN A  44
ASN A  68
ARG A  70
GLN A  73
ASN A 101
ASN A 111
LEU A 113
ILE A 115
GLN A 132
 FMN  A 200 (-4.0A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.53A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		8 / 12 ASN A  68
CYH A  69
ARG A  70
GLN A  73
ASN A 111
LEU A 113
ILE A 115
GLN A 132
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.81A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 12 GLN A  73
ASN A 101
ASN A 111
LEU A 113
ILE A  95
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
None
 1.12A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 9 LEU A  72
VAL A  82
ILE A  85
ILE A  99
PHE A 128
 FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.2A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-4.5A)
 0.24A 4kukA-3t50A:
19.5		 4kukA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		8 / 12 ASN A  44
ASN A  68
ARG A  70
GLN A  73
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-4.0A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.45A 4kuoA-3t50A:
19.6		 4kuoA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		7 / 12 ASN A  68
CYH A  69
ARG A  70
GLN A  73
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.78A 4kuoA-3t50A:
19.6		 4kuoA-3t50A:
39.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		7 / 12 ARG A  70
GLN A  73
ILE A  89
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.58A 4r38A-3t50A:
20.3		 4r38A-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 12 CYH A  69
ARG A  70
GLN A  73
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.94A 4r38A-3t50A:
20.3		 4r38A-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		6 / 12 GLN A  73
ALA A  84
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
None
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.31A 4r38A-3t50A:
20.3		 4r38A-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 8 ASN A  68
LEU A  72
VAL A  82
ILE A  99
PHE A 128
 FMN  A 200 (-3.1A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-4.5A)
 0.72A 4r38A-3t50A:
20.3		 4r38A-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		8 / 12 ASN A  68
ARG A  70
GLN A  73
ILE A  89
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.60A 4r38B-3t50A:
20.0		 4r38B-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		6 / 12 ASN A  68
CYH A  69
ARG A  70
GLN A  73
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.93A 4r38B-3t50A:
20.0		 4r38B-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		6 / 12 GLN A  73
ALA A  84
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
None
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.38A 4r38B-3t50A:
20.0		 4r38B-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		7 / 12 ARG A  70
GLN A  73
ILE A  89
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.59A 4r38C-3t50A:
20.0		 4r38C-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		6 / 12 CYH A  69
ARG A  70
GLN A  73
ILE A  89
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.93A 4r38C-3t50A:
20.0		 4r38C-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		6 / 12 GLN A  73
ALA A  84
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
None
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.30A 4r38C-3t50A:
20.0		 4r38C-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_C_RBFC201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 9 ASN A  68
LEU A  72
VAL A  82
ILE A  99
PHE A 128
 FMN  A 200 (-3.1A)
FMN  A 200 (-4.3A)
FMN  A 200 (-4.3A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-4.5A)
 0.78A 4r38C-3t50A:
19.9		 4r38C-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		7 / 12 ARG A  70
GLN A  73
ILE A  89
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.56A 4r38D-3t50A:
20.1		 4r38D-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 12 CYH A  69
ARG A  70
GLN A  73
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.96A 4r38D-3t50A:
20.1		 4r38D-3t50A:
34.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		6 / 12 GLN A  73
ALA A  84
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.1A)
None
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.27A 4r38D-3t50A:
20.1		 4r38D-3t50A:
34.33
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.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 12 ALA A  84
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 None
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.09A 4r3aA-3t50A:
15.7		 4r3aA-3t50A:
17.58
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.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		8 / 12 ARG A  70
GLN A  73
ILE A  89
ILE A  99
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 (-4.5A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.54A 4r3aA-3t50A:
15.7		 4r3aA-3t50A:
17.58
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.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		8 / 12 CYH A  69
ARG A  70
GLN A  73
ILE A  99
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.1A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.71A 4r3aA-3t50A:
15.7		 4r3aA-3t50A:
17.58
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		6 / 12 ALA A  84
ILE A  99
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 None
FMN  A 200 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 1.22A 4r3aB-3t50A:
15.5		 4r3aB-3t50A:
17.58
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		8 / 12 CYH A  69
ARG A  70
ILE A  89
ILE A  99
ASN A 101
ASN A 111
LEU A 113
GLN A 132
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.9A)
FMN  A 200 (-4.5A)
FMN  A 200 ( 4.4A)
FMN  A 200 (-3.1A)
FMN  A 200 (-3.8A)
FMN  A 200 (-4.3A)
FMN  A 200 (-3.9A)
 0.73A 4r3aB-3t50A:
15.5		 4r3aB-3t50A:
17.58
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.
5DBY_A_NPSA602_1
(SERUM ALBUMIN)		 3t50 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
melitensis) 		5 / 12 LEU A 113
ASN A 111
PHE A 109
LEU A  56
SER A 130
 FMN  A 200 (-4.3A)
FMN  A 200 (-3.8A)
None
None
FMN  A 200 (-3.4A)
 1.45A 5dbyA-3t50A:
undetectable		 5dbyA-3t50A:
11.66