SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3fs2'

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
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.
1SDU_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.85A 1sduB-3fs2A:
undetectable		 1sduB-3fs2A:
13.09
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.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 11 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.78A 2aquB-3fs2A:
undetectable		 2aquB-3fs2A:
15.44
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.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.76A 2avoB-3fs2A:
undetectable		 2avoB-3fs2A:
14.95
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.86A 2avvB-3fs2A:
undetectable		 2avvB-3fs2A:
15.31
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.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.87A 2avvE-3fs2A:
undetectable		 2avvE-3fs2A:
15.31
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 9 THR A  96
LEU A  95
ALA A 130
LEU A 126
LEU A 154
 None
 1.41A 2azqA-3fs2A:
undetectable		 2azqA-3fs2A:
23.89
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 LEU A 264
LEU A  50
GLY A  53
ALA A  22
ALA A 234
 None
 1.09A 2br4A-3fs2A:
undetectable		 2br4A-3fs2A:
20.32
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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 LEU A 264
LEU A  50
GLY A  53
ALA A  22
ALA A 234
 None
 1.11A 2br4C-3fs2A:
undetectable		 2br4C-3fs2A:
20.32
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 LEU A 264
LEU A  50
GLY A  53
ALA A  22
ALA A 234
 None
 1.11A 2br4D-3fs2A:
undetectable		 2br4D-3fs2A:
20.32
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 LEU A 264
LEU A  50
GLY A  53
ALA A  22
ALA A 234
 None
 1.16A 2br4E-3fs2A:
undetectable		 2br4E-3fs2A:
20.32
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.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 LEU A 264
LEU A  50
GLY A  53
ALA A  22
ALA A 234
 None
 1.12A 2br4F-3fs2A:
undetectable		 2br4F-3fs2A:
20.32
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.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 ARG A 135
ASN A 138
ASP A 112
PHE A  92
PHE A  15
 None
 1.03A 2ejtA-3fs2A:
undetectable		 2ejtA-3fs2A:
22.06
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.
2FXE_A_DR7A102_2
(POL PROTEIN)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 11 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.83A 2fxeB-3fs2A:
undetectable		 2fxeB-3fs2A:
15.31
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.
2NNK_A_ROCA401_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.97A 2nnkA-3fs2A:
undetectable		 2nnkA-3fs2A:
13.61
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.
2NNP_A_ROCA401_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 11 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.89A 2nnpA-3fs2A:
undetectable		 2nnpA-3fs2A:
13.61
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.
2O4K_A_DR7A301_2
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.87A 2o4kB-3fs2A:
undetectable		 2o4kB-3fs2A:
15.10
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.
2O4S_A_AB1A400_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.95A 2o4sA-3fs2A:
undetectable		 2o4sA-3fs2A:
15.10
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.
2Q5K_A_AB1A201_2
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.92A 2q5kB-3fs2A:
undetectable		 2q5kB-3fs2A:
14.38
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.
2R5P_B_MK1B902_2
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.83A 2r5pB-3fs2A:
undetectable		 2r5pB-3fs2A:
16.72
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.
2R5P_D_MK1D902_2
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.83A 2r5pD-3fs2A:
undetectable		 2r5pD-3fs2A:
16.72
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.
2VCV_B_ASDB1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 6 PHE A 236
LEU A 186
ALA A 227
LEU A 224
ALA A 200
 None
 1.17A 2vcvB-3fs2A:
undetectable		 2vcvB-3fs2A:
20.13
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.
2VCV_E_ASDE1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 9 PHE A 236
LEU A 186
ALA A 227
LEU A 224
ALA A 200
 None
 1.16A 2vcvE-3fs2A:
undetectable		 2vcvE-3fs2A:
20.13
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.
2VCV_H_ASDH1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 9 PHE A 236
LEU A 186
ALA A 227
LEU A 224
ALA A 200
 None
 1.13A 2vcvH-3fs2A:
undetectable		 2vcvH-3fs2A:
20.13
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.
2VCV_I_ASDI1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 9 PHE A 236
LEU A 186
ALA A 227
LEU A 224
ALA A 200
 None
 1.14A 2vcvI-3fs2A:
undetectable		 2vcvI-3fs2A:
20.13
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.
2VCV_K_ASDK1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 6 PHE A 236
LEU A 186
ALA A 227
LEU A 224
ALA A 200
 None
 1.17A 2vcvK-3fs2A:
undetectable		 2vcvK-3fs2A:
20.13
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.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.81A 3cyxA-3fs2A:
undetectable		 3cyxA-3fs2A:
14.63
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.
3EM4_A_DR7A100_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 11 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.75A 3em4A-3fs2A:
undetectable		 3em4A-3fs2A:
14.77
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.
3EM4_V_DR7V100_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 11 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.79A 3em4U-3fs2A:
undetectable		 3em4U-3fs2A:
14.77
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.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.71A 3k4vA-3fs2A:
undetectable		 3k4vA-3fs2A:
13.61
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.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.80A 3k4vD-3fs2A:
undetectable		 3k4vD-3fs2A:
13.61
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.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		4 / 7 LEU A 154
SER A 160
ASN A 162
THR A 124
 None
None
PG4  A 280 ( 4.9A)
None
 0.99A 3lm8B-3fs2A:
undetectable
3lm8D-3fs2A:
undetectable		 3lm8B-3fs2A:
20.78
3lm8D-3fs2A:
20.78
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.
3LSK_B_ACTB901_0
(PYRANOSE 2-OXIDASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		4 / 6 SER A  59
GLN A 115
PHE A 237
HIS A 202
 None
None
None
PO4  A 278 (-3.8A)
 1.37A 3lskB-3fs2A:
undetectable		 3lskB-3fs2A:
19.42
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.
3LSK_D_ACTD901_0
(PYRANOSE 2-OXIDASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		4 / 6 SER A  59
GLN A 115
PHE A 237
HIS A 202
 None
None
None
PO4  A 278 (-3.8A)
 1.37A 3lskD-3fs2A:
undetectable		 3lskD-3fs2A:
19.42
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.
3NDT_A_ROCA101_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.85A 3ndtA-3fs2A:
undetectable		 3ndtA-3fs2A:
13.61
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.
3NDU_A_ROCA101_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.78A 3nduA-3fs2A:
undetectable		 3nduA-3fs2A:
13.61
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.
3NDU_A_ROCA101_2
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.86A 3nduB-3fs2A:
undetectable		 3nduB-3fs2A:
13.61
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.
3NDU_D_ROCD100_2
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.88A 3nduD-3fs2A:
undetectable		 3nduD-3fs2A:
13.61
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.
3NDX_A_RITA100_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 1.04A 3ndxA-3fs2A:
undetectable		 3ndxA-3fs2A:
13.61
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.73A 3oxxC-3fs2A:
undetectable		 3oxxC-3fs2A:
14.77
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.
3PWR_A_ROCA401_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.87A 3pwrA-3fs2A:
undetectable		 3pwrA-3fs2A:
13.61
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		4 / 8 GLN A 103
LEU A 114
ASP A  97
ASP A  61
 None
 0.92A 3qj7A-3fs2A:
undetectable
3qj7D-3fs2A:
undetectable		 3qj7A-3fs2A:
23.05
3qj7D-3fs2A:
23.05
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.
3TKG_B_ROCB801_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.83A 3tkgA-3fs2A:
undetectable		 3tkgA-3fs2A:
13.61
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.
3TKG_C_ROCC901_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.88A 3tkgC-3fs2A:
undetectable		 3tkgC-3fs2A:
13.61
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.
3TL9_A_ROCA401_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.87A 3tl9A-3fs2A:
undetectable		 3tl9A-3fs2A:
13.61
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.
4AC0_A_MIYA1204_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 HIS A 202
GLN A 115
THR A  96
LEU A  95
LEU A  54
 PO4  A 278 (-3.8A)
None
None
None
None
 1.49A 4ac0A-3fs2A:
undetectable		 4ac0A-3fs2A:
20.00
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.
4Q5M_A_ROCA1101_1
(PROTEASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.88A 4q5mA-3fs2A:
undetectable		 4q5mA-3fs2A:
23.33
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		3 / 3 LYS A  57
ILE A  24
ILE A 197
 None
 0.53A 4y0qA-3fs2A:
undetectable		 4y0qA-3fs2A:
17.57
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.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 VAL A  55
ILE A  24
ILE A 197
ASN A 164
VAL A  13
 None
 0.79A 5uvmB-3fs2A:
undetectable		 5uvmB-3fs2A:
18.42
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		5 / 12 ALA A 269
LEU A  50
ILE A  52
VAL A 229
PHE A 236
 None
 1.44A 5vlmE-3fs2A:
undetectable		 5vlmE-3fs2A:
21.85