SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3m1l'

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.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 6 PHE A 431
TYR A 430
LEU A 181
VAL A 189
None
1.02A 1dz4A-3m1lA:
undetectable
1dz4A-3m1lA:
22.13
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.
1DZ8_A_CAMA503_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 9 PHE A 431
TYR A 430
THR A 177
LEU A 181
VAL A 189
None
1.13A 1dz8A-3m1lA:
undetectable
1dz8A-3m1lA:
22.13
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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 GLY A 366
LEU A 320
LEU A 324
PRO A 323
ALA A 387
None
1.19A 1gseA-3m1lA:
undetectable
1gseA-3m1lA:
18.43
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.
1T85_A_CAMA422_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.05A 1t85A-3m1lA:
undetectable
1t85A-3m1lA:
22.13
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.
1T87_A_CAMA1422_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
LEU A 181
None
1.07A 1t87A-3m1lA:
undetectable
1t87A-3m1lA:
22.13
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.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 7 PHE A 431
TYR A 430
THR A 177
LEU A 181
VAL A 189
None
1.10A 1t87B-3m1lA:
undetectable
1t87B-3m1lA:
22.13
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.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
6 / 10 GLY A 220
ALA A 222
ASP A 244
ASP A 267
VAL A 268
VAL A 318
None
0.58A 1uayB-3m1lA:
21.9
1uayB-3m1lA:
22.15
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.
1VE3_A_SAMA302_0
(HYPOTHETICAL PROTEIN
PH0226)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 ALA A 387
ILE A 444
ALA A 389
ARG A 445
ILE A 370
None
1.00A 1ve3A-3m1lA:
7.1
1ve3A-3m1lA:
18.49
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.
1VE3_B_SAMB301_0
(HYPOTHETICAL PROTEIN
PH0226)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 ALA A 387
ILE A 444
ALA A 389
ARG A 445
ILE A 370
None
0.92A 1ve3B-3m1lA:
7.3
1ve3B-3m1lA:
18.49
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.
1YRC_A_CAMA420_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.02A 1yrcA-3m1lA:
undetectable
1yrcA-3m1lA:
22.13
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.
1YRD_A_CAMA420_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.03A 1yrdA-3m1lA:
undetectable
1yrdA-3m1lA:
22.13
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.
2AOJ_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 5 LEU A  49
GLY A 101
PRO A 108
VAL A 109
None
0.79A 2aojA-3m1lA:
undetectable
2aojA-3m1lA:
15.18
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 LEU A 102
PHE A 106
LEU A 141
LEU A 160
ALA A 159
None
1.05A 2bxpA-3m1lA:
undetectable
2bxpA-3m1lA:
22.35
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.
2FEU_A_CAMA1420_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 6 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.00A 2feuA-3m1lA:
undetectable
2feuA-3m1lA:
21.91
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.
2FEU_B_CAMB1421_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.01A 2feuB-3m1lA:
undetectable
2feuB-3m1lA:
21.91
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.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 5 PHE A 431
TYR A 430
LEU A 181
VAL A 189
None
1.00A 2m56A-3m1lA:
undetectable
2m56A-3m1lA:
22.39
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.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PRO A 434
SER A 436
GLU A 175
PRO A 204
None
1.03A 2v2gA-3m1lA:
undetectable
2v2gB-3m1lA:
undetectable
2v2gA-3m1lA:
19.50
2v2gB-3m1lA:
19.50
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.
2V2G_B_BEZB1220_0
(PEROXIREDOXIN 6)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PRO A 204
PRO A 434
SER A 436
GLU A 175
None
1.01A 2v2gA-3m1lA:
undetectable
2v2gB-3m1lA:
undetectable
2v2gA-3m1lA:
19.50
2v2gB-3m1lA:
19.50
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.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PRO A 434
SER A 436
GLU A 175
PRO A 204
None
0.99A 2v2gC-3m1lA:
undetectable
2v2gD-3m1lA:
undetectable
2v2gC-3m1lA:
19.50
2v2gD-3m1lA:
19.50
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.
2V2G_D_BEZD1221_0
(PEROXIREDOXIN 6)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PRO A 204
PRO A 434
SER A 436
GLU A 175
None
1.05A 2v2gC-3m1lA:
undetectable
2v2gD-3m1lA:
undetectable
2v2gC-3m1lA:
19.50
2v2gD-3m1lA:
19.50
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 8 PRO A 434
SER A 436
GLU A 175
PRO A 204
None
0.96A 2v32A-3m1lA:
undetectable
2v32B-3m1lA:
undetectable
2v32A-3m1lA:
19.50
2v32B-3m1lA:
19.50
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 8 PRO A 204
PRO A 434
SER A 436
GLU A 175
None
0.99A 2v32A-3m1lA:
undetectable
2v32B-3m1lA:
undetectable
2v32A-3m1lA:
19.50
2v32B-3m1lA:
19.50
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.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 8 PRO A 434
SER A 436
GLU A 175
PRO A 204
None
0.99A 2v32C-3m1lA:
undetectable
2v32D-3m1lA:
undetectable
2v32C-3m1lA:
19.50
2v32D-3m1lA:
19.50
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PRO A 434
SER A 436
GLU A 175
PRO A 204
None
0.99A 2v41E-3m1lA:
undetectable
2v41F-3m1lA:
undetectable
2v41E-3m1lA:
19.50
2v41F-3m1lA:
19.50
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.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PRO A 204
PRO A 434
SER A 436
GLU A 175
None
1.08A 2v41E-3m1lA:
undetectable
2v41F-3m1lA:
undetectable
2v41E-3m1lA:
19.50
2v41F-3m1lA:
19.50
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.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 8 PRO A 204
PRO A 434
SER A 436
GLU A 175
None
1.02A 2v41G-3m1lA:
undetectable
2v41H-3m1lA:
undetectable
2v41G-3m1lA:
19.50
2v41H-3m1lA:
19.50
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.
2YZQ_A_SAMA6075_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 ILE A 225
THR A 228
VAL A 424
GLU A 394
PRO A 390
None
1.29A 2yzqA-3m1lA:
undetectable
2yzqA-3m1lA:
20.97
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.
2ZAW_A_CAMA422_0
(CYTOCHROME P450-CAM)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 6 PHE A 431
TYR A 430
LEU A 181
VAL A 189
None
1.04A 2zawA-3m1lA:
undetectable
2zawA-3m1lA:
22.08
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.
2ZUI_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 6 PHE A 431
TYR A 430
THR A 177
LEU A 181
None
1.09A 2zuiA-3m1lA:
undetectable
2zuiA-3m1lA:
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.
2ZUI_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 6 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.05A 2zuiA-3m1lA:
undetectable
2zuiA-3m1lA:
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.
2ZWT_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.03A 2zwtA-3m1lA:
undetectable
2zwtA-3m1lA:
22.08
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.
2ZWU_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.03A 2zwuA-3m1lA:
undetectable
2zwuA-3m1lA:
22.08
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.
3FWF_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.03A 3fwfA-3m1lA:
undetectable
3fwfA-3m1lA:
22.15
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.
3FWF_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.02A 3fwfB-3m1lA:
undetectable
3fwfB-3m1lA:
22.15
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.
3FWJ_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.03A 3fwjA-3m1lA:
undetectable
3fwjA-3m1lA:
22.15
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
3 / 3 PRO A 210
PHE A 233
ALA A 432
None
0.71A 3itaD-3m1lA:
undetectable
3itaD-3m1lA:
23.70
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 ILE A 370
ALA A 389
ALA A 296
ILE A 368
ALA A 365
None
1.04A 3jb1A-3m1lA:
4.8
3jb1A-3m1lA:
17.95
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.
3L63_A_CAMA440_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.01A 3l63A-3m1lA:
undetectable
3l63A-3m1lA:
22.13
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 9 LEU A 211
PHE A 233
VAL A 232
ILE A 428
ALA A 425
None
1.13A 3mdvA-3m1lA:
undetectable
3mdvA-3m1lA:
22.13
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 GLY A  84
GLY A  46
ALA A 156
LEU A  48
LEU A 113
None
1.16A 3p2kB-3m1lA:
4.4
3p2kB-3m1lA:
17.93
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 GLY A  84
GLY A  46
ALA A 156
LEU A  48
LEU A 113
None
1.06A 3p2kD-3m1lA:
5.2
3p2kD-3m1lA:
17.93
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.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 8 ILE A 370
LEU A 374
VAL A 331
GLY A 329
None
0.89A 3w1wA-3m1lA:
2.7
3w1wA-3m1lA:
22.34
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.
3WRH_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.02A 3wrhA-3m1lA:
undetectable
3wrhA-3m1lA:
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.
3WRJ_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.05A 3wrjA-3m1lA:
undetectable
3wrjA-3m1lA:
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.
3WRL_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.03A 3wrlA-3m1lA:
undetectable
3wrlA-3m1lA:
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.
3WRL_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.00A 3wrlE-3m1lA:
undetectable
3wrlE-3m1lA:
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.
3WRM_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.03A 3wrmA-3m1lA:
undetectable
3wrmA-3m1lA:
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.
3WRM_F_CAMF503_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
VAL A 189
None
1.01A 3wrmF-3m1lA:
undetectable
3wrmF-3m1lA:
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.
4A3U_B_ACTB1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 ILE A  93
GLN A 138
GLY A 123
VAL A 121
None
0.92A 4a3uB-3m1lA:
2.3
4a3uB-3m1lA:
22.91
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.
4L4G_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 7 PHE A 431
TYR A 430
THR A 177
LEU A 181
None
1.07A 4l4gA-3m1lA:
undetectable
4l4gA-3m1lA:
22.08
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.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 ILE A 444
VAL A 388
LEU A 345
ILE A 229
ALA A 425
None
0.92A 4o1zA-3m1lA:
undetectable
4o1zA-3m1lA:
22.64
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.
4OQR_A_2UOA502_1
(CYP105AS1)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 9 ILE A 225
ALA A 227
THR A 255
VAL A 240
ALA A 234
None
None
None
None
ACT  A   1 (-3.9A)
1.21A 4oqrA-3m1lA:
undetectable
4oqrA-3m1lA:
25.54
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 TYR A  68
VAL A 161
LEU A  48
LEU A  70
ALA A  63
None
1.38A 4rtbA-3m1lA:
2.5
4rtbA-3m1lA:
21.47
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.
5AOX_C_ACTC1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
3 / 3 TYR A 360
THR A 358
THR A 363
None
0.77A 5aoxB-3m1lA:
undetectable
5aoxB-3m1lA:
14.08
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.
5AOX_F_ACTF1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
3 / 3 TYR A 360
THR A 358
THR A 363
None
0.78A 5aoxE-3m1lA:
undetectable
5aoxE-3m1lA:
14.08
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 5 LEU A 292
PHE A 233
ILE A 343
ILE A 428
None
0.96A 5dzk4-3m1lA:
undetectable
5dzkg-3m1lA:
2.2
5dzkm-3m1lA:
undetectable
5dzkn-3m1lA:
undetectable
5dzk4-3m1lA:
6.06
5dzkg-3m1lA:
19.34
5dzkm-3m1lA:
19.63
5dzkn-3m1lA:
19.63
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.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 11 LEU A 163
GLU A  58
GLY A  54
SER A 164
ALA A 171
None
0.95A 5o96G-3m1lA:
2.8
5o96G-3m1lA:
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
4 / 6 LEU A 281
ALA A 289
THR A 219
ASN A 294
None
1.03A 6f88A-3m1lA:
undetectable
6f88A-3m1lA:
12.93
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 12 PHE A 194
LEU A 174
GLY A 173
ASN A 437
ALA A  63
None
1.18A 6r2eE-3m1lA:
undetectable
6r2eE-3m1lA:
22.89
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.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis)
5 / 11 PHE A 194
LEU A 174
GLY A 173
ASN A 437
ALA A  63
None
1.18A 6r2eF-3m1lA:
undetectable
6r2eF-3m1lA:
22.89