SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5kei'

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.
1HXB_A_ROCA100_2
(HIV-1 PROTEASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 387
THR A 542
VAL A 544
 None
 0.89A 1hxbA-5keiA:
undetectable		 1hxbA-5keiA:
9.86
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.
1KT7_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 210
ALA A 418
VAL A 121
LEU A  21
HIS A 136
 None
 1.37A 1kt7A-5keiA:
undetectable		 1kt7A-5keiA:
16.01
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.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 LEU A 305
VAL A 296
LEU A 326
LEU A 323
LEU A 253
 None
 1.19A 1mx1B-5keiA:
undetectable		 1mx1B-5keiA:
21.56
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.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 LEU A 112
PHE A 108
LEU A 209
ARG A 225
ALA A 262
 None
 1.20A 2bxeA-5keiA:
undetectable		 2bxeA-5keiA:
22.24
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.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 112
PHE A 108
LEU A 209
ARG A 225
ALA A 262
 None
 1.12A 2bxeB-5keiA:
undetectable		 2bxeB-5keiA:
22.24
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ILE A 388
GLY A 454
LEU A 450
GLY A 402
GLU A 401
 None
 1.27A 2fn1A-5keiA:
undetectable		 2fn1A-5keiA:
24.27
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.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ALA A 106
ASP A  66
GLU A 107
MET A 270
 None
 1.34A 2ouzA-5keiA:
undetectable		 2ouzA-5keiA:
17.28
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.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 387
THR A 542
VAL A 544
 None
 0.81A 2q64A-5keiA:
undetectable		 2q64A-5keiA:
9.50
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.
2QAK_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 387
THR A 542
VAL A 544
 None
 0.76A 2qakA-5keiA:
undetectable		 2qakA-5keiA:
10.04
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.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A 249
LEU A 301
VAL A 302
LEU A 305
 None
 0.91A 2w98B-5keiA:
3.4		 2w98B-5keiA:
19.93
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A 249
ALA A 290
ALA A 287
LEU A 301
 None
 0.85A 2wx2B-5keiA:
undetectable		 2wx2B-5keiA:
23.12
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 234
LEU A  47
VAL A  50
LEU A 112
THR A 235
 None
 1.25A 3fl9C-5keiA:
undetectable		 3fl9C-5keiA:
13.36
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.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A 249
ALA A 290
ALA A 287
LEU A 301
 None
 0.87A 3khmA-5keiA:
undetectable		 3khmA-5keiA:
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ILE A  62
ALA A  63
THR A 276
ALA A 269
 None
 1.07A 3mdrB-5keiA:
undetectable		 3mdrB-5keiA:
23.68
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ILE A  92
ALA A  83
VAL A 147
VAL A  98
 None
 0.92A 3me6B-5keiA:
undetectable		 3me6B-5keiA:
22.17
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.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A 353
ILE A 386
ILE A 388
LEU A 404
VAL A 438
 None
 1.06A 3rukB-5keiA:
undetectable		 3rukB-5keiA:
23.08
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A 108
ALA A 252
LEU A 211
MET A 124
LEU A 261
 None
 1.24A 3s79A-5keiA:
undetectable		 3s79A-5keiA:
21.21
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A 259
CYH A 263
SER A 237
TYR A 410
LEU A 211
 None
 1.28A 3vn2A-5keiA:
undetectable		 3vn2A-5keiA:
19.25
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 GLN A 376
ASN A 374
GLN A 351
LYS A 307
 None
 1.31A 4d1yA-5keiA:
3.0
4d1yB-5keiA:
2.8		 4d1yA-5keiA:
15.17
4d1yB-5keiA:
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.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 PHE A 183
ASP A 179
ARG A 158
 None
 0.78A 4eahF-5keiA:
undetectable		 4eahF-5keiA:
20.25
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.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 PHE A 183
ASP A 179
ARG A 158
 None
 0.78A 4eahG-5keiA:
undetectable		 4eahG-5keiA:
20.25
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 SER A 213
HIS A 136
TYR A 415
VAL A 140
 None
 1.34A 4eohB-5keiA:
2.9		 4eohB-5keiA:
20.46
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.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 GLY A 463
ILE A 499
LEU A 490
GLU A 497
 None
 0.80A 4mwzB-5keiA:
undetectable		 4mwzB-5keiA:
16.67
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.
4NC3_A_ERMA1202_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A 113
ALA A  63
PHE A 278
LEU A 102
VAL A 251
 None
 1.30A 4nc3A-5keiA:
undetectable		 4nc3A-5keiA:
21.55
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.
4QN9_B_DXCB610_0
(N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLY A 128
PRO A 127
ALA A 256
 None
 0.56A 4qn9B-5keiA:
1.4		 4qn9B-5keiA:
21.85
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.
4QVN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 1.02A 4qvnV-5keiA:
undetectable
4qvnb-5keiA:
undetectable		 4qvnV-5keiA:
18.15
4qvnb-5keiA:
16.28
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.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 1.02A 4qvnH-5keiA:
undetectable
4qvnN-5keiA:
undetectable		 4qvnH-5keiA:
18.15
4qvnN-5keiA:
16.28
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.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLY A 402
VAL A 389
LEU A 450
SER A 434
LEU A 405
 None
 1.22A 4yb6B-5keiA:
undetectable
4yb6C-5keiA:
undetectable		 4yb6B-5keiA:
19.72
4yb6C-5keiA:
19.72
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.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 450
SER A 434
LEU A 405
GLY A 402
VAL A 389
 None
 1.22A 4yb6A-5keiA:
undetectable
4yb6D-5keiA:
undetectable		 4yb6A-5keiA:
19.72
4yb6D-5keiA:
19.72
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.
4YB6_E_HISE302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 450
SER A 434
LEU A 405
GLY A 402
VAL A 389
 None
 1.22A 4yb6D-5keiA:
undetectable
4yb6E-5keiA:
0.7		 4yb6D-5keiA:
19.72
4yb6E-5keiA:
19.72
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.
4YB6_F_HISF302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 450
SER A 434
LEU A 405
GLY A 402
VAL A 389
 None
 1.23A 4yb6B-5keiA:
undetectable
4yb6F-5keiA:
undetectable		 4yb6B-5keiA:
19.72
4yb6F-5keiA:
19.72
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.
4Z2E_H_TR6H101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 5 GLY A 354
GLY A 358
GLU A 357
 None
 0.45A 4z2eA-5keiA:
undetectable
4z2eD-5keiA:
undetectable		 4z2eA-5keiA:
22.78
4z2eD-5keiA:
19.12
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.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ALA A 205
ARG A 407
GLY A 408
GLU A 385
 None
 0.88A 5bs8A-5keiA:
undetectable
5bs8B-5keiA:
undetectable
5bs8C-5keiA:
2.2		 5bs8A-5keiA:
23.40
5bs8B-5keiA:
20.99
5bs8C-5keiA:
23.40
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ALA A 205
ARG A 407
GLY A 408
GLU A 385
 None
 0.87A 5btdA-5keiA:
2.2
5btdB-5keiA:
undetectable
5btdC-5keiA:
undetectable		 5btdA-5keiA:
23.40
5btdB-5keiA:
20.99
5btdC-5keiA:
23.40
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ALA A 205
ARG A 407
GLY A 408
GLU A 385
 None
 0.87A 5btdA-5keiA:
2.1
5btdC-5keiA:
undetectable
5btdD-5keiA:
undetectable		 5btdA-5keiA:
23.40
5btdC-5keiA:
23.40
5btdD-5keiA:
20.99
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.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ALA A 205
ARG A 407
GLY A 408
GLU A 385
 None
 0.92A 5btgA-5keiA:
undetectable
5btgB-5keiA:
undetectable
5btgC-5keiA:
2.1		 5btgA-5keiA:
23.40
5btgB-5keiA:
20.99
5btgC-5keiA:
23.40
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.
5G5G_A_ACTA1231_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 324
THR A 244
ASP A 247
 None
 0.87A 5g5gA-5keiA:
undetectable
5g5gB-5keiA:
undetectable		 5g5gA-5keiA:
18.26
5g5gB-5keiA:
23.83
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A  83
GLY A  86
LEU A  76
ALA A 118
GLY A 114
 None
 1.34A 5jglB-5keiA:
undetectable		 5jglB-5keiA:
19.18
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.
5JKV_A_ASDA602_1
(AROMATASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A 108
ALA A 252
LEU A 211
MET A 124
LEU A 261
 None
 1.25A 5jkvA-5keiA:
undetectable		 5jkvA-5keiA:
21.21
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.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 266
ALA A 106
GLY A 273
ALA A 274
LEU A 243
 None
 1.01A 5jw1B-5keiA:
undetectable		 5jw1B-5keiA:
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.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 266
ALA A 106
GLY A 273
ALA A 274
LEU A 243
 None
 1.06A 5kirA-5keiA:
0.6		 5kirA-5keiA:
23.37
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.
5LF7_B_6V8B304_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 0.98A 5lf7V-5keiA:
undetectable
5lf7b-5keiA:
undetectable		 5lf7V-5keiA:
18.46
5lf7b-5keiA:
17.30
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.
5LF7_N_6V8N305_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 0.98A 5lf7H-5keiA:
undetectable
5lf7N-5keiA:
undetectable		 5lf7H-5keiA:
18.46
5lf7N-5keiA:
17.30
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASP A 229
ALA A 234
SER A 237
ARG A 225
LEU A 261
 None
 1.44A 5m54B-5keiA:
undetectable		 5m54B-5keiA:
21.36
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.
5WM2_A_SALA601_1
(SALICYLATE-AMP
LIGASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		6 / 9 HIS A 257
ASN A 258
CYH A 263
GLY A 329
GLY A 354
LEU A 360
 None
 1.26A 5wm2A-5keiA:
60.3		 5wm2A-5keiA:
9.07
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.
5WM2_A_SALA601_1
(SALICYLATE-AMP
LIGASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		8 / 9 HIS A 257
ASN A 258
PHE A 259
CYH A 263
GLY A 330
VAL A 352
GLY A 354
LEU A 360
 None
 0.45A 5wm2A-5keiA:
60.3		 5wm2A-5keiA:
9.07
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.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 PRO A 198
PRO A 207
ALA A 208
PRO A 204
ALA A 205
 None
 1.22A 6bm5A-5keiA:
undetectable		 6bm5A-5keiA:
23.06
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.
6HWD_B_BO2B201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 1.04A 6hwdV-5keiA:
undetectable
6hwdb-5keiA:
undetectable		 6hwdV-5keiA:
11.56
6hwdb-5keiA:
9.39
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.
6HWD_N_BO2N201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)		 5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 275
THR A 276
ALA A 269
GLY A 295
THR A 322
 None
 1.04A 6hwdH-5keiA:
undetectable
6hwdN-5keiA:
undetectable		 6hwdH-5keiA:
11.56
6hwdN-5keiA:
9.39