SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3upy'

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.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.02A 1c6zA-3upyA:
undetectable		 1c6zA-3upyA:
11.91
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.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.01A 1c6zB-3upyA:
undetectable		 1c6zB-3upyA:
11.91
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.
1E06_B_IPBB600_0
(ODORANT-BINDING
PROTEIN)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 4 ILE A  29
MET A 138
VAL A  42
GLY A  30
 None
 1.19A 1e06B-3upyA:
undetectable		 1e06B-3upyA:
13.24
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.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.02A 1fb7A-3upyA:
undetectable		 1fb7A-3upyA:
14.00
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 LEU A 324
ALA A  15
ALA A  11
LEU A 331
GLN A  41
 None
 1.32A 1hbpA-3upyA:
undetectable		 1hbpA-3upyA:
17.29
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.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.15A 2fj1A-3upyA:
undetectable		 2fj1A-3upyA:
20.63
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.
2HRC_A_CHDA702_0
(FERROCHELATASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 7 MET A 137
ARG A 429
PRO A 169
VAL A 231
 None
 1.35A 2hrcA-3upyA:
4.2		 2hrcA-3upyA:
20.83
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.
2TCT_A_CTCA222_0
(TETRACYCLINE
REPRESSOR)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.25A 2tctA-3upyA:
undetectable		 2tctA-3upyA:
20.63
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.
2TRT_A_TACA222_1
(TETRACYCLINE
REPRESSOR CLASS D)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.14A 2trtA-3upyA:
undetectable		 2trtA-3upyA:
20.84
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.
2VOU_A_ACTA1397_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		3 / 3 PRO A 346
GLY A 147
TYR A 161
 None
 0.54A 2vouA-3upyA:
4.4		 2vouA-3upyA:
21.99
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.
2VOU_B_ACTB1391_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		3 / 3 PRO A 346
GLY A 147
TYR A 161
 None
 0.44A 2vouB-3upyA:
4.7		 2vouB-3upyA:
21.99
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.
2VOU_C_ACTC1391_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		3 / 3 PRO A 346
GLY A 147
TYR A 161
 None
 0.45A 2vouC-3upyA:
4.2		 2vouC-3upyA:
21.99
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.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.00A 3d1zA-3upyA:
undetectable		 3d1zA-3upyA:
13.03
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 PHE A 291
SER A 260
LEU A 242
SER A 188
ILE A 236
 None
 1.42A 3ko0A-3upyA:
undetectable
3ko0B-3upyA:
undetectable
3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable		 3ko0A-3upyA:
12.68
3ko0B-3upyA:
12.68
3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 PHE A 291
SER A 260
SER A 188
ILE A 236
CYH A 172
 None
 1.39A 3ko0A-3upyA:
undetectable
3ko0B-3upyA:
undetectable
3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable		 3ko0A-3upyA:
12.68
3ko0B-3upyA:
12.68
3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 LEU A 242
SER A 188
ILE A 236
PHE A 291
SER A 260
 None
 1.47A 3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable
3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable		 3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.41A 3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable
3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable		 3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
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.
3KO0_E_TFPE202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 260
PHE A 291
SER A 188
ILE A 236
CYH A 172
 None
 1.42A 3ko0C-3upyA:
undetectable
3ko0D-3upyA:
undetectable
3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable		 3ko0C-3upyA:
12.68
3ko0D-3upyA:
12.68
3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
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.
3KO0_F_TFPF202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 LEU A 242
SER A 188
ILE A 236
PHE A 291
SER A 260
 None
 1.42A 3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable
3ko0G-3upyA:
undetectable
3ko0H-3upyA:
undetectable		 3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
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.
3KO0_F_TFPF202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.39A 3ko0E-3upyA:
undetectable
3ko0F-3upyA:
undetectable
3ko0G-3upyA:
undetectable
3ko0H-3upyA:
undetectable		 3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
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.
3KO0_G_TFPG202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 10 SER A 260
PHE A 291
SER A 188
ILE A 236
CYH A 172
 None
 1.44A 3ko0E-3upyA:
0.0
3ko0F-3upyA:
undetectable
3ko0G-3upyA:
0.0
3ko0H-3upyA:
undetectable		 3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 LEU A 242
SER A 188
ILE A 236
PHE A 291
SER A 260
 None
 1.42A 3ko0G-3upyA:
undetectable
3ko0H-3upyA:
undetectable
3ko0I-3upyA:
undetectable
3ko0J-3upyA:
undetectable		 3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
3ko0I-3upyA:
12.68
3ko0J-3upyA:
12.68
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.37A 3ko0G-3upyA:
undetectable
3ko0H-3upyA:
undetectable
3ko0I-3upyA:
undetectable
3ko0J-3upyA:
undetectable		 3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
3ko0I-3upyA:
12.68
3ko0J-3upyA:
12.68
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.
3KO0_N_TFPN202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 260
PHE A 291
LEU A 242
SER A 188
ILE A 236
 None
 1.44A 3ko0K-3upyA:
undetectable
3ko0L-3upyA:
undetectable
3ko0M-3upyA:
undetectable
3ko0N-3upyA:
undetectable		 3ko0K-3upyA:
12.68
3ko0L-3upyA:
12.68
3ko0M-3upyA:
12.68
3ko0N-3upyA:
12.68
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.
3KO0_N_TFPN202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 260
PHE A 291
SER A 188
ILE A 236
CYH A 172
 None
 1.35A 3ko0K-3upyA:
undetectable
3ko0L-3upyA:
undetectable
3ko0M-3upyA:
undetectable
3ko0N-3upyA:
undetectable		 3ko0K-3upyA:
12.68
3ko0L-3upyA:
12.68
3ko0M-3upyA:
12.68
3ko0N-3upyA:
12.68
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 LEU A 242
SER A 188
ILE A 236
PHE A 291
SER A 260
 None
 1.46A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
undetectable		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.40A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
undetectable		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 10 PHE A 291
SER A 260
LEU A 242
SER A 188
ILE A 236
 None
 1.44A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
0.0		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 10 PHE A 291
SER A 260
SER A 188
ILE A 236
CYH A 172
 None
 1.39A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
0.0		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
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.
3KO0_R_TFPR202_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 SER A 188
ILE A 236
CYH A 172
SER A 260
PHE A 291
 None
 1.41A 3ko0Q-3upyA:
0.0
3ko0R-3upyA:
0.0
3ko0S-3upyA:
0.0
3ko0T-3upyA:
undetectable		 3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
3ko0S-3upyA:
12.68
3ko0T-3upyA:
12.68
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 10 SER A 260
PHE A 291
SER A 188
ILE A 236
CYH A 172
 None
 1.36A 3m0wC-3upyA:
undetectable
3m0wD-3upyA:
undetectable
3m0wE-3upyA:
undetectable
3m0wF-3upyA:
undetectable		 3m0wC-3upyA:
12.75
3m0wD-3upyA:
12.75
3m0wE-3upyA:
12.75
3m0wF-3upyA:
12.75
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 9 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.37A 3m0wC-3upyA:
undetectable
3m0wD-3upyA:
undetectable
3m0wE-3upyA:
undetectable
3m0wF-3upyA:
undetectable		 3m0wC-3upyA:
12.75
3m0wD-3upyA:
12.75
3m0wE-3upyA:
12.75
3m0wF-3upyA:
12.75
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 10 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.45A 3m0wE-3upyA:
undetectable
3m0wF-3upyA:
undetectable
3m0wG-3upyA:
undetectable
3m0wH-3upyA:
undetectable		 3m0wE-3upyA:
12.75
3m0wF-3upyA:
12.75
3m0wG-3upyA:
12.75
3m0wH-3upyA:
12.75
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.
3M0W_I_P77I203_1
(PROTEIN S100-A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 10 SER A 188
ILE A 236
CYH A 172
SER A 260
PHE A 291
 None
 1.40A 3m0wA-3upyA:
undetectable
3m0wB-3upyA:
undetectable
3m0wI-3upyA:
undetectable
3m0wJ-3upyA:
undetectable		 3m0wA-3upyA:
12.75
3m0wB-3upyA:
12.75
3m0wI-3upyA:
12.75
3m0wJ-3upyA:
12.75
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)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 0.98A 3nduD-3upyA:
undetectable		 3nduD-3upyA:
13.03
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.
3NDW_A_RITA100_1
(PROTEASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 0.97A 3ndwA-3upyA:
undetectable		 3ndwA-3upyA:
13.03
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)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 0.96A 3ndxA-3upyA:
undetectable		 3ndxA-3upyA:
13.03
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 THR A  61
GLY A  35
GLY A  32
ILE A  93
SER A  54
 None
 1.09A 3nk7A-3upyA:
3.9		 3nk7A-3upyA:
21.35
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 TYR A 315
LEU A 263
SER A 260
ASP A 279
SER A 275
 None
 1.27A 3pfgA-3upyA:
4.5		 3pfgA-3upyA:
23.18
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)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.01A 3pwrA-3upyA:
undetectable		 3pwrA-3upyA:
13.26
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.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 5 GLY A 121
ASP A 113
GLN A 153
MET A 435
 None
 1.27A 3qx3A-3upyA:
undetectable		 3qx3A-3upyA:
21.16
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.
3QX3_D_EVPD1_1
(DNA TOPOISOMERASE
2-BETA)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 5 GLY A 121
ASP A 113
GLN A 153
MET A 435
 None
 1.32A 3qx3B-3upyA:
undetectable		 3qx3B-3upyA:
21.16
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.
3S54_B_017B201_1
(PROTEASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		6 / 12 LEU A  28
ASP A 109
GLY A  47
PRO A 330
ILE A  38
ILE A  26
 None
 1.32A 3s54A-3upyA:
undetectable		 3s54A-3upyA:
12.36
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.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		3 / 3 ARG A  86
GLU A  81
THR A  80
 None
 0.82A 3v4tA-3upyA:
undetectable		 3v4tA-3upyA:
24.85
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		3 / 3 ASP A 369
GLY A 372
TYR A 374
 None
 0.78A 3w9tC-3upyA:
undetectable		 3w9tC-3upyA:
22.01
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.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		3 / 3 ASP A 369
GLY A 372
TYR A 374
 None
 0.78A 3w9tG-3upyA:
undetectable		 3w9tG-3upyA:
22.01
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.
4A97_C_ZPCC1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 VAL A 329
ILE A  38
GLU A 168
GLU A 141
HIS A 323
 None
None
FOM  A 447 ( 2.4A)
None
FOM  A 447 (-4.1A)
 1.28A 4a97B-3upyA:
undetectable
4a97C-3upyA:
undetectable		 4a97B-3upyA:
19.82
4a97C-3upyA:
19.82
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.
4B3A_A_TACA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.16A 4b3aA-3upyA:
undetectable		 4b3aA-3upyA:
20.86
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 8 MET A 137
ILE A 146
ARG A 429
VAL A 231
 None
 1.31A 4f4dB-3upyA:
4.1		 4f4dB-3upyA:
21.04
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.
4KMM_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 7 MET A 137
PRO A 169
SER A 170
VAL A 231
 None
 1.43A 4kmmA-3upyA:
undetectable		 4kmmA-3upyA:
20.57
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.
4MK4_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 6 MET A 137
ILE A 146
ARG A 429
VAL A 231
 None
 1.13A 4mk4B-3upyA:
3.8		 4mk4B-3upyA:
20.83
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.
4NJV_D_RITD500_2
(PROTEASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 GLY A 121
ALA A 122
GLY A 147
PRO A 393
ILE A 425
 None
 1.03A 4njvD-3upyA:
undetectable		 4njvD-3upyA:
13.12
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.
4NKV_D_AERD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 5 TYR A 322
GLY A 166
ASP A 167
VAL A 278
 None
None
MG  A 446 ( 2.7A)
None
 1.06A 4nkvD-3upyA:
undetectable		 4nkvD-3upyA:
23.75
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 9 PRO A 384
ILE A 380
VAL A 243
ALA A 237
THR A 240
 None
 1.33A 4oqrA-3upyA:
undetectable		 4oqrA-3upyA:
23.62
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.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 TYR A 161
GLY A 121
GLY A 125
ILE A 425
ALA A 142
 None
 1.08A 4qtuB-3upyA:
3.9		 4qtuB-3upyA:
18.89
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 8 GLU A 123
GLY A 121
THR A 115
SER A  54
 None
 0.84A 4r20A-3upyA:
undetectable		 4r20A-3upyA:
22.96
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.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.18A 4v2gB-3upyA:
undetectable		 4v2gB-3upyA:
20.63
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		3 / 3 LYS A 133
ILE A 111
ILE A  29
 None
 0.70A 4y0qA-3upyA:
undetectable		 4y0qA-3upyA:
16.82
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 6 ARG A  17
ASP A 109
LYS A 133
HIS A 134
 None
 0.64A 5a06A-3upyA:
5.0		 5a06A-3upyA:
23.39
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 11 ASP A  37
SER A 326
VAL A 110
ILE A  26
ILE A  48
 None
 1.27A 5y80A-3upyA:
undetectable		 5y80A-3upyA:
12.53
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		5 / 12 ILE A  29
GLY A  30
THR A  36
ILE A 108
ILE A 102
 None
 0.97A 6emuA-3upyA:
3.8		 6emuA-3upyA:
18.58
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 3upy OXIDOREDUCTASE
(Brucella
abortus) 		4 / 7 ARG A  17
ALA A  15
ILE A  24
ALA A 334
 None
 0.98A 6ma7A-3upyA:
undetectable		 6ma7A-3upyA:
10.41