SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2bru'

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.
1FM4_A_DXCA1001_0
(MAJOR POLLEN
ALLERGEN BET V 1-L)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 PHE C 163
PHE C 164
PRO C 161
GLN C 123
ALA C 121
 None
 1.23A 1fm4A-2bruC:
0.0		 1fm4A-2bruC:
22.11
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.
1GMK_B_DVAB6_0
(GRAMICIDIN A)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 4 VAL A1358
TRP A1368
ALA A1370
VAL A1360
 None
 1.20A 1gmkA-2bruA:
undetectable
1gmkB-2bruA:
undetectable		 1gmkA-2bruA:
3.11
1gmkB-2bruA:
3.11
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.
1GMK_D_DVAD6_0
(GRAMICIDIN A)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 4 VAL A1358
TRP A1368
ALA A1370
VAL A1360
 None
 1.12A 1gmkC-2bruA:
undetectable
1gmkD-2bruA:
undetectable		 1gmkC-2bruA:
3.11
1gmkD-2bruA:
3.11
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 GLU C  22
ILE C 145
ASP C 174
GLY C 173
ALA C  46
 None
None
NAP  C1001 (-2.4A)
None
None
 1.19A 1hvyB-2bruC:
undetectable		 1hvyB-2bruC:
17.05
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		6 / 12 LEU A1319
GLY A1138
VAL A1253
LEU A1315
LEU A1284
PHE A1153
 None
 1.27A 1mx1D-2bruA:
3.8		 1mx1D-2bruA:
22.36
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.
1T86_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 8 THR A1367
THR A1088
VAL A1348
VAL A1090
 None
 0.91A 1t86A-2bruA:
undetectable		 1t86A-2bruA:
22.27
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.
2IEO_A_017A402_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 GLY C 113
ALA C 114
ILE C  35
VAL C 138
VAL C 118
 NAP  C1001 (-3.5A)
NAP  C1001 (-4.3A)
None
None
None
 0.90A 2ieoB-2bruC:
undetectable		 2ieoB-2bruC:
21.39
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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 PHE A1092
ALA A1256
ALA A1176
ALA A1263
PRO A1259
 None
 1.31A 2igtC-2bruA:
5.8		 2igtC-2bruA:
23.58
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.
2JKJ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PRO A1095
PRO A1259
ILE A1258
GLY A1260
 None
 1.04A 2jkjD-2bruA:
undetectable		 2jkjD-2bruA:
17.62
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.
2JKJ_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PRO A1095
PRO A1259
ILE A1258
GLY A1260
 None
 1.03A 2jkjF-2bruA:
undetectable		 2jkjF-2bruA:
17.62
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.
2NMZ_B_ROCB401_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.69A 2nmzA-2bruC:
undetectable		 2nmzA-2bruC:
22.29
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.
2NNK_A_ROCA401_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.73A 2nnkA-2bruC:
undetectable		 2nnkA-2bruC:
21.39
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.
2O4N_A_TPVA300_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 8 ALA A1285
ILE A1258
GLY A1172
ILE A1171
 None
 0.77A 2o4nB-2bruA:
undetectable		 2o4nB-2bruA:
15.17
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.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.31A 2y69C-2bruA:
undetectable
2y69J-2bruA:
undetectable		 2y69C-2bruA:
22.37
2y69J-2bruA:
11.72
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.
2Y69_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.28A 2y69P-2bruA:
undetectable
2y69W-2bruA:
undetectable		 2y69P-2bruA:
22.37
2y69W-2bruA:
11.72
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.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 PHE C 147
GLY C  38
GLY C  40
ALA C  46
VAL C 118
 None
NAP  C1001 (-3.3A)
NAP  C1001 (-3.5A)
None
None
 0.95A 2zulA-2bruC:
4.3		 2zulA-2bruC:
18.97
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.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.31A 3abmC-2bruA:
undetectable
3abmJ-2bruA:
undetectable		 3abmC-2bruA:
22.37
3abmJ-2bruA:
9.23
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.
3ABM_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.31A 3abmP-2bruA:
undetectable
3abmW-2bruA:
undetectable		 3abmP-2bruA:
22.37
3abmW-2bruA:
9.23
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.32A 3ag3C-2bruA:
undetectable
3ag3J-2bruA:
undetectable		 3ag3C-2bruA:
22.37
3ag3J-2bruA:
9.23
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.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 PHE C 147
GLY C  38
GLY C  40
ALA C  46
VAL C 118
 None
NAP  C1001 (-3.3A)
NAP  C1001 (-3.5A)
None
None
 0.95A 3dmfA-2bruC:
4.1		 3dmfA-2bruC:
18.97
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 PHE C 147
GLY C  38
GLY C  40
ALA C  46
VAL C 118
 None
NAP  C1001 (-3.3A)
NAP  C1001 (-3.5A)
None
None
 0.96A 3dmhA-2bruC:
4.0		 3dmhA-2bruC:
18.97
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.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 9 ILE A1069
LYS A1071
LEU A1083
GLU A1079
LEU A1082
 None
 1.21A 3f78A-2bruA:
undetectable		 3f78A-2bruA:
17.08
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.
3F78_B_ICFB2_1
(INTEGRIN ALPHA-L)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 9 ILE A1069
LYS A1071
LEU A1083
GLU A1079
LEU A1082
 None
 1.20A 3f78B-2bruA:
undetectable		 3f78B-2bruA:
17.08
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 7 ARG A1009
VAL A1360
LEU A1331
ILE A1361
 None
 0.91A 3gp0A-2bruA:
undetectable		 3gp0A-2bruA:
24.65
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.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 VAL A1143
GLY A1182
ALA A1183
SER A1186
LEU A1187
 None
 0.92A 3hs6A-2bruA:
undetectable		 3hs6A-2bruA:
19.81
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 8 LEU A1089
THR A1088
GLY A1001
ILE A1005
 None
 0.81A 3jusA-2bruA:
undetectable		 3jusA-2bruA:
20.08
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 8 LEU A1089
THR A1088
GLY A1001
ILE A1005
 None
 0.81A 3jusA-2bruA:
undetectable		 3jusA-2bruA:
20.08
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_2
(HIV-1 PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.74A 3k4vA-2bruC:
undetectable		 3k4vA-2bruC:
21.69
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_4
(HIV-1 PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.81A 3k4vD-2bruC:
undetectable		 3k4vD-2bruC:
21.69
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.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 7 GLU A1213
GLN A1205
VAL A1204
ALA A1193
 None
 0.91A 3kp6B-2bruA:
undetectable		 3kp6B-2bruA:
16.87
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		4 / 6 LEU C  57
ILE C 182
ALA C  24
THR C 108
 None
 0.86A 3mdrA-2bruC:
undetectable		 3mdrA-2bruC:
16.81
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.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 9 LEU A1212
PHE A1211
VAL A1204
ALA A1173
THR A1255
 None
 1.29A 3mdtA-2bruA:
undetectable		 3mdtA-2bruA:
23.87
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.
3NDT_A_ROCA101_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.81A 3ndtA-2bruC:
undetectable		 3ndtA-2bruC:
21.69
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_3
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.86A 3nduD-2bruC:
undetectable		 3nduD-2bruC:
21.69
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.
3NU9_A_478A401_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 10 GLY C 113
ALA C 114
ILE C  35
VAL C 138
VAL C 118
 NAP  C1001 (-3.5A)
NAP  C1001 (-4.3A)
None
None
None
 0.87A 3nu9B-2bruC:
undetectable		 3nu9B-2bruC:
21.39
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.
3OGP_A_017A200_1
(FIV PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 9 GLY A1290
ALA A1263
ILE A1258
GLY A1172
ILE A1171
 None
 0.92A 3ogpA-2bruA:
undetectable		 3ogpA-2bruA:
15.85
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.
3PWR_A_ROCA401_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.72A 3pwrA-2bruC:
undetectable		 3pwrA-2bruC:
21.08
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.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 7 LEU A1334
VAL A1358
LEU A1326
ASP A1128
 None
 0.85A 3rgfA-2bruA:
undetectable		 3rgfA-2bruA:
21.37
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 8 PRO A1006
ILE A1069
ILE A1003
ARG A1002
 None
 1.07A 3sfeB-2bruA:
undetectable
3sfeC-2bruA:
undetectable		 3sfeB-2bruA:
18.58
3sfeC-2bruA:
18.11
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 8 PHE A1194
PHE A1211
ALA A1173
PHE A1234
 None
 0.94A 3t3sF-2bruA:
undetectable		 3t3sF-2bruA:
22.05
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.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		4 / 5 LYS C  20
THR C  23
ILE C 182
PHE C 147
 None
 0.99A 3tf1A-2bruC:
0.0		 3tf1A-2bruC:
21.52
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_2
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  58
VAL C 109
THR C 106
 None
 0.76A 3tl9A-2bruC:
undetectable		 3tl9A-2bruC:
21.69
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.
3UCB_A_017A201_1
(PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 GLY C 113
ALA C 114
ILE C  35
VAL C 138
VAL C 118
 NAP  C1001 (-3.5A)
NAP  C1001 (-4.3A)
None
None
None
 0.91A 3ucbA-2bruC:
undetectable		 3ucbA-2bruC:
21.93
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 ARG A1123
LEU A1127
VAL A1118
ASP A1352
 None
 1.13A 3ufnA-2bruA:
undetectable
3ufnB-2bruA:
undetectable		 3ufnA-2bruA:
15.96
3ufnB-2bruA:
15.96
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.
3ZOS_A_0LIA1004_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 11 VAL A1253
LEU A1257
GLY A1174
VAL A1204
GLY A1172
 None
 0.89A 3zosA-2bruA:
undetectable
3zosB-2bruA:
undetectable		 3zosA-2bruA:
21.28
3zosB-2bruA:
21.28
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.
4A84_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		5 / 12 PHE C 163
PHE C 164
PRO C 161
GLN C 123
ALA C 121
 None
 1.09A 4a84A-2bruC:
undetectable		 4a84A-2bruC:
22.63
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 11 GLY A1208
ALA A1180
GLY A1182
VAL A1204
VAL A1168
 None
 1.34A 4c5lA-2bruA:
5.4		 4c5lA-2bruA:
23.04
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 10 GLY A1208
ALA A1180
GLY A1182
VAL A1204
VAL A1168
 None
 1.33A 4c5lC-2bruA:
6.1		 4c5lC-2bruA:
23.04
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.
4EM2_A_SALA504_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 8 GLY A1328
LEU A1331
ILE A1005
THR A1022
 None
 0.87A 4em2A-2bruA:
undetectable		 4em2A-2bruA:
18.88
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 PRO A1006
ILE A1346
LEU A1026
LEU A1029
GLY A1344
 None
 0.80A 4l9qB-2bruA:
undetectable		 4l9qB-2bruA:
20.27
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)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 9 VAL A1051
VAL A1016
ALA A1017
VAL A1033
ALA A1055
 None
 1.15A 4oqrA-2bruA:
undetectable		 4oqrA-2bruA:
22.47
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.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 10 VAL A1143
GLY A1182
ALA A1183
SER A1186
LEU A1187
 None
 1.13A 4ph9A-2bruA:
undetectable		 4ph9A-2bruA:
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		4 / 8 ALA C 114
ILE A1157
GLY C  67
VAL C  50
 NAP  C1001 (-4.3A)
None
None
None
 0.85A 4r20A-2bruC:
undetectable		 4r20A-2bruC:
17.17
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.
4TVT_A_ASCA303_0
(THAUMATIN-1)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		4 / 7 LEU C  26
ILE C 182
LYS C  20
VAL C 179
 None
 1.15A 4tvtA-2bruC:
undetectable		 4tvtA-2bruC:
21.27
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.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 8 ALA A1039
VAL A1035
PHE A1050
GLY A1040
ALA A1043
 None
 1.41A 4zjzB-2bruA:
undetectable		 4zjzB-2bruA:
22.62
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.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 6 ARG A1140
GLY A1317
SER A1323
LEU A1319
 None
 1.11A 5bphA-2bruA:
2.8		 5bphA-2bruA:
21.90
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.
5BPH_D_ACTD403_0
(D-ALANINE--D-ALANINE
LIGASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 6 ARG A1140
GLY A1317
SER A1323
LEU A1319
 None
 1.26A 5bphD-2bruA:
3.5		 5bphD-2bruA:
21.90
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 GLY A1311
GLU A1144
HIS A1147
ASP A1314
 None
 1.23A 5c0oH-2bruA:
6.0		 5c0oH-2bruA:
21.29
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		3 / 3 ASN A1098
LEU A1089
PHE A1092
 None
 0.80A 5dsgA-2bruA:
undetectable		 5dsgA-2bruA:
21.48
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 10 LEU A1257
ALA A1176
LEU A1130
ARG A1120
LEU A1315
 None
 1.19A 5hyrA-2bruA:
undetectable		 5hyrA-2bruA:
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		3 / 3 VAL A1354
SER A1126
MET A1133
 None
 0.74A 5ikqA-2bruA:
undetectable		 5ikqA-2bruA:
19.64
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 ALA A1209
ALA A1193
ILE A1181
LEU A1178
 None
 0.79A 5jncD-2bruA:
undetectable		 5jncD-2bruA:
20.44
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.
5KIR_A_RCXA601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Escherichia
coli) 		3 / 3 ARG C  65
ILE C  35
PHE C  66
 None
 0.68A 5kirA-2bruC:
undetectable		 5kirA-2bruC:
17.10
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 ILE A1181
GLY A1177
ALA A1193
ALA A1209
VAL A1168
 None
 1.13A 5n0oB-2bruA:
undetectable		 5n0oB-2bruA:
21.48
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.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 ILE A1142
VAL A1280
ILE A1181
ALA A1180
VAL A1191
 None
 1.05A 5n0wB-2bruA:
3.9		 5n0wB-2bruA:
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.
5N4I_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 12 ILE A1142
VAL A1280
ILE A1181
ALA A1180
VAL A1191
 None
 1.06A 5n4iA-2bruA:
2.9		 5n4iA-2bruA:
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.
5OF1_B_SALB301_1
(SPORE
COAT-ASSOCIATED
PROTEIN N)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 ALA A1166
VAL A1249
PHE A1149
ILE A1252
 None
 1.01A 5of1B-2bruA:
undetectable		 5of1B-2bruA:
14.45
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.
5TIY_A_OAQA302_0
(SULFOTRANSFERASE)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		5 / 11 ILE A1142
VAL A1280
PHE A1153
LEU A1284
THR A1254
 None
 1.33A 5tiyA-2bruA:
1.1		 5tiyA-2bruA:
21.51
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.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.31A 5wauC-2bruA:
undetectable
5wauJ-2bruA:
undetectable		 5wauC-2bruA:
22.37
5wauJ-2bruA:
9.23
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.
5WAU_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.27A 5wauc-2bruA:
undetectable
5wauj-2bruA:
undetectable		 5wauc-2bruA:
22.37
5wauj-2bruA:
9.23
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.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.28A 5xdqC-2bruA:
undetectable
5xdqJ-2bruA:
undetectable		 5xdqC-2bruA:
22.37
5xdqJ-2bruA:
9.23
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.
5XDQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
(Escherichia
coli) 		4 / 5 PHE A1242
PHE A1194
LEU A1214
PHE A1216
 None
 1.26A 5xdqP-2bruA:
undetectable
5xdqW-2bruA:
undetectable		 5xdqP-2bruA:
22.37
5xdqW-2bruA:
9.23