SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4b3i'

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.
1CMA_A_SAMA105_0
(PROTEIN (MET
REPRESSOR))		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 8 GLU C 375
ARG C 378
ARG C 379
LEU C 323
 None
SO4  C1411 (-3.7A)
None
None
 0.84A 1cmaA-4b3iC:
undetectable
1cmaB-4b3iC:
undetectable		 1cmaA-4b3iC:
17.70
1cmaB-4b3iC:
17.70
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.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 11 GLU C 375
ARG C 378
ARG C 379
LEU C 323
GLY C 353
 None
SO4  C1411 (-3.7A)
None
None
None
 1.03A 1cmaA-4b3iC:
undetectable
1cmaB-4b3iC:
undetectable		 1cmaA-4b3iC:
17.70
1cmaB-4b3iC:
17.70
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.
1DRF_A_FOLA187_1
(DIHYDROFOLATE
REDUCTASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 4 GLU A 283
ASN A  86
ARG A  93
THR A 154
 None
 1.45A 1drfA-4b3iA:
1.6		 1drfA-4b3iA:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 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_A_IPBA600_0
(ODORANT-BINDING
PROTEIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 6 VAL A 330
VAL A 467
ILE A 461
ASN A 439
 None
 0.78A 1e06A-4b3iA:
undetectable		 1e06A-4b3iA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 307
LEU A 144
ARG A 175
ILE A 667
GLY A 677
 None
COA  A1730 ( 4.8A)
COA  A1730 (-3.9A)
None
None
 1.21A 1g50B-4b3iA:
undetectable		 1g50B-4b3iA:
15.91
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 307
LEU A 144
ARG A 175
ILE A 667
GLY A 677
 None
COA  A1730 ( 4.8A)
COA  A1730 (-3.9A)
None
None
 1.21A 1g50C-4b3iA:
undetectable		 1g50C-4b3iA:
15.91
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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 7 GLY C 254
ASP C 154
SER C 257
HIS C 252
 None
 0.89A 1gxsA-4b3iC:
undetectable
1gxsB-4b3iC:
undetectable		 1gxsA-4b3iC:
21.97
1gxsB-4b3iC:
20.18
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.
1H4O_C_BEZC1162_0
(PEROXIREDOXIN 5)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 9 PRO A 444
THR A 440
PHE A 509
THR A 446
GLY A 478
 None
 1.33A 1h4oC-4b3iA:
undetectable
1h4oD-4b3iA:
undetectable		 1h4oC-4b3iA:
13.99
1h4oD-4b3iA:
13.99
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.
1H4O_E_BEZE1162_0
(PEROXIREDOXIN 5)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 9 PRO A 444
THR A 440
PHE A 509
THR A 446
GLY A 478
 None
 1.37A 1h4oE-4b3iA:
undetectable
1h4oF-4b3iA:
undetectable		 1h4oE-4b3iA:
13.99
1h4oF-4b3iA:
13.99
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 6 ALA A 566
LYS A 569
ASP A 573
ALA A 574
 None
 0.36A 1iwhA-4b3iA:
undetectable		 1iwhA-4b3iA:
12.65
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ALA C 306
GLY C 302
ASN C 349
ILE C 355
HIS C 359
 None
 1.24A 1kxhA-4b3iC:
undetectable		 1kxhA-4b3iC:
22.57
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.
1MJ2_A_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 GLY C 353
GLU C 375
ARG C 378
ARG C 379
LEU C 323
 None
None
SO4  C1411 (-3.7A)
None
None
 0.97A 1mj2A-4b3iC:
undetectable
1mj2B-4b3iC:
undetectable		 1mj2A-4b3iC:
17.70
1mj2B-4b3iC:
17.70
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.
1MJ2_C_SAMC2199_0
(PROTEIN (METHIONINE
REPRESSOR))		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 GLY C 353
GLU C 375
ARG C 378
ARG C 379
LEU C 323
 None
None
SO4  C1411 (-3.7A)
None
None
 0.90A 1mj2C-4b3iC:
undetectable
1mj2D-4b3iC:
undetectable		 1mj2C-4b3iC:
17.70
1mj2D-4b3iC:
17.70
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 11 ALA C 178
GLU C 375
ARG C 378
ARG C 379
LEU C 323
 None
None
SO4  C1411 (-3.7A)
None
None
 0.76A 1mjlA-4b3iC:
undetectable
1mjlB-4b3iC:
undetectable		 1mjlA-4b3iC:
17.70
1mjlB-4b3iC:
17.70
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.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 GLY C 353
GLU C 375
ARG C 378
ARG C 379
LEU C 323
 None
None
SO4  C1411 (-3.7A)
None
None
 0.94A 1mjoC-4b3iC:
undetectable
1mjoD-4b3iC:
undetectable		 1mjoC-4b3iC:
17.70
1mjoD-4b3iC:
17.70
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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 151
GLY A 152
VAL A 169
LEU A 170
LEU A 139
 None
 0.68A 1mx1F-4b3iA:
3.3		 1mx1F-4b3iA:
22.18
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 127
LEU A 114
ALA A 113
LEU A 122
LEU A  95
 None
COA  A1730 ( 4.4A)
None
None
None
 1.24A 1og5A-4b3iA:
undetectable		 1og5A-4b3iA:
21.05
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 559
PHE A 509
SER A 512
ILE A 515
ILE A 563
 None
 1.07A 1osvB-4b3iA:
undetectable		 1osvB-4b3iA:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 7 HIS A 462
THR A 442
ASN A 415
LEU A 448
 None
 1.04A 1qzrA-4b3iA:
undetectable		 1qzrA-4b3iA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_1
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		3 / 3 HIS A -11
ASP A 277
ASN C  20
 None
 0.85A 1wg8B-4b3iA:
6.6		 1wg8B-4b3iA:
19.13
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.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 8 ALA A 696
PHE A 697
ALA A 701
LEU A 645
 None
 0.82A 2bxmA-4b3iA:
2.5		 2bxmA-4b3iA:
20.89
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.
2KUH_A_HLTA150_1
(CALMODULIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 6 LEU C 115
LEU C 113
MET C 268
GLU C   9
 None
 1.18A 2kuhA-4b3iC:
undetectable		 2kuhA-4b3iC:
9.18
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.
2QHF_A_ACTA507_0
(CHORISMATE SYNTHASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		3 / 3 LEU C 323
ASN C 351
ARG C 379
 None
 0.81A 2qhfA-4b3iC:
undetectable		 2qhfA-4b3iC:
24.46
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 GLY C 358
SER C 258
ALA C 354
ASN C 327
GLY C  95
 None
 1.15A 2vmyB-4b3iC:
undetectable		 2vmyB-4b3iC:
24.21
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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 340
VAL A 467
VAL A 473
GLU A 474
ILE A 459
 None
 1.15A 2vn0A-4b3iA:
undetectable		 2vn0A-4b3iA:
20.21
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ILE C 399
ALA C 397
LEU C  96
ILE C   7
THR C 307
 None
 1.15A 2w3bB-4b3iC:
undetectable		 2w3bB-4b3iC:
17.46
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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ILE C 399
ALA C 397
LEU C  96
ILE C   7
THR C 307
 None
 1.12A 2w3mA-4b3iC:
undetectable		 2w3mA-4b3iC:
17.46
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		3 / 3 MET A 335
VAL A 356
GLU A 410
 None
 0.77A 2x9gA-4b3iA:
6.9		 2x9gA-4b3iA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ILE C 390
GLY C 365
LEU C  31
PRO C 360
THR C  13
 None
 0.97A 2y7hC-4b3iC:
undetectable		 2y7hC-4b3iC:
21.68
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.
3ADX_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 7 ILE C 321
ILE C   7
LEU C 311
LEU C  96
 None
 0.96A 3adxA-4b3iC:
undetectable		 3adxA-4b3iC:
22.67
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.
3BJ8_C_SPMC500_1
(DIAMINE
ACETYLTRANSFERASE 1)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 6 ASP C 319
LEU C 316
ASP C 322
LEU C 323
 None
 1.25A 3bj8C-4b3iC:
0.0
3bj8D-4b3iC:
undetectable		 3bj8C-4b3iC:
18.57
3bj8D-4b3iC:
18.57
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.
3FRQ_A_ERYA195_1
(REPRESSOR PROTEIN
MPHR(A))		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 5 ASN C 249
ARG C 164
ASN C 256
ALA C 153
 SO4  C1405 (-3.5A)
None
None
None
 1.41A 3frqA-4b3iC:
undetectable		 3frqA-4b3iC:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 7 ASN C 249
ARG C 164
ASN C 256
ALA C 153
 SO4  C1405 (-3.5A)
None
None
None
 1.43A 3frqB-4b3iC:
undetectable		 3frqB-4b3iC:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ILE C  55
VAL C  54
GLY C 118
ALA C 116
LEU C 115
 None
 0.98A 3mb5A-4b3iC:
undetectable		 3mb5A-4b3iC:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 4 GLY C  16
GLU C 207
ASP C 204
ASP C 262
 None
 1.42A 3mb5A-4b3iC:
undetectable		 3mb5A-4b3iC:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 GLY C 263
THR C 364
LEU C 361
VAL C 194
GLY C  16
 None
 0.95A 3sglA-4b3iC:
undetectable		 3sglA-4b3iC:
20.89
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 122
LEU A 139
GLY A 138
GLY A 115
 None
None
None
COA  A1730 ( 3.9A)
 0.78A 3si7C-4b3iA:
undetectable
3si7D-4b3iA:
undetectable		 3si7C-4b3iA:
17.36
3si7D-4b3iA:
17.36
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.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 10 GLU A 414
SER A 441
ASN A 439
ILE A 445
ALA A 449
 None
 1.26A 3u6tA-4b3iA:
undetectable		 3u6tA-4b3iA:
17.72
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.
4A3U_B_ACTB1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 7 ILE A 340
GLY A 329
VAL A 351
SER A 344
 None
 0.95A 4a3uB-4b3iA:
2.2		 4a3uB-4b3iA:
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 662
PHE A 672
ASN A 663
ILE A 670
VAL A 514
 None
 1.03A 4azsA-4b3iA:
4.0		 4azsA-4b3iA:
23.47
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 662
PHE A 672
ASN A 663
ILE A 670
VAL A 514
 None
 1.06A 4aztA-4b3iA:
4.2		 4aztA-4b3iA:
23.47
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.
4AZW_A_SAMA1451_0
(WBDD)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 662
PHE A 672
ASN A 663
ILE A 670
VAL A 514
 None
 1.04A 4azwA-4b3iA:
4.2		 4azwA-4b3iA:
21.23
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.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 5 GLY C 152
ILE C 156
VAL C 251
SER C 332
 None
 1.22A 4d33A-4b3iC:
undetectable		 4d33A-4b3iC:
22.69
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.
4DX5_B_MIYB1103_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 SER A 168
ASN A 164
ILE A 162
ALA A 268
VAL A 269
 None
 1.09A 4dx5B-4b3iA:
3.9		 4dx5B-4b3iA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 11 ASP A 491
ARG A 316
ILE A 461
ILE A 496
PHE A 407
 None
 1.35A 4dz2A-4b3iA:
undetectable
4dz2B-4b3iA:
undetectable		 4dz2A-4b3iA:
11.22
4dz2B-4b3iA:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 11 ASP A 491
ARG A 316
ILE A 461
ILE A 496
PHE A 407
 None
 1.36A 4dz2A-4b3iA:
undetectable
4dz2B-4b3iA:
undetectable		 4dz2A-4b3iA:
11.22
4dz2B-4b3iA:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 10 ASP A 491
ARG A 316
ILE A 461
ILE A 496
PHE A 407
 None
 1.26A 4dz3A-4b3iA:
undetectable		 4dz3A-4b3iA:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 11 HIS C 359
ILE C 368
LEU C 323
GLY C 352
TYR C 186
 None
 1.36A 4foxF-4b3iC:
undetectable		 4foxF-4b3iC:
19.06
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ILE C 399
ALA C 397
LEU C  96
ILE C   7
THR C 307
 None
 1.11A 4kebB-4b3iC:
undetectable		 4kebB-4b3iC:
17.46
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 10 ALA C 284
VAL C 267
ALA C 103
ALA C   5
ILE C 269
 None
 0.93A 4lbgA-4b3iC:
undetectable		 4lbgA-4b3iC:
24.40
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 9 ALA C 284
VAL C 267
ALA C 103
ALA C   5
ILE C 269
 None
 0.91A 4lbgB-4b3iC:
undetectable		 4lbgB-4b3iC:
24.40
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.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 5 TYR A  34
THR A 143
LEU A 144
THR A  72
 None
None
COA  A1730 ( 4.8A)
SO4  A1726 (-4.0A)
 1.43A 4mbsB-4b3iA:
undetectable		 4mbsB-4b3iA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		3 / 3 LYS C 336
ASN C 349
ASP C 340
 None
 0.77A 4o1eA-4b3iC:
undetectable		 4o1eA-4b3iC:
24.88
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ALA C 366
GLY C  95
SER C  94
ASN C 327
GLY C 370
 None
 1.13A 4obwA-4b3iC:
undetectable		 4obwA-4b3iC:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ALA C 366
GLY C  95
SER C  94
ILE C 368
GLY C 370
 None
 1.14A 4obwA-4b3iC:
undetectable		 4obwA-4b3iC:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P7N_A_GCSA703_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 4 LEU A 448
PHE A 458
LEU A 331
GLU A 410
 None
 1.48A 4p7nA-4b3iA:
1.2		 4p7nA-4b3iA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		3 / 3 ILE A  52
ASP A  11
ARG A  44
 None
 0.83A 4pstA-4b3iA:
undetectable		 4pstA-4b3iA:
11.97
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 9 THR A 154
ALA A 267
ALA A 263
GLY A 151
GLY A 149
 None
 1.20A 4qwuK-4b3iA:
undetectable
4qwuL-4b3iA:
undetectable		 4qwuK-4b3iA:
15.06
4qwuL-4b3iA:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U8V_B_MIYB1103_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 SER A 168
ASN A 164
ILE A 162
ALA A 268
VAL A 269
 None
 1.08A 4u8vB-4b3iA:
undetectable		 4u8vB-4b3iA:
23.72
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.
4U95_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 SER A 168
ASN A 164
ILE A 162
ALA A 268
VAL A 269
 None
 1.11A 4u95B-4b3iA:
4.4		 4u95B-4b3iA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 4 ASN C 198
SER A 284
ALA A 288
VAL A 291
 None
 1.30A 4x1kC-4b3iC:
undetectable		 4x1kC-4b3iC:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 290
THR A 154
ALA A 267
ALA A 263
ILE A 282
 None
 1.08A 4x1kD-4b3iA:
undetectable		 4x1kD-4b3iA:
19.44
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 656
GLU A 653
ILE A 670
PRO A 444
 None
 1.03A 4xi3C-4b3iA:
undetectable		 4xi3C-4b3iA:
14.50
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ALA C 264
GLY C  57
GLY C 118
GLY C 365
ALA C  70
 None
 1.06A 5c0oE-4b3iC:
undetectable		 5c0oE-4b3iC:
23.15
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.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 6 GLU A 414
GLY A 601
ARG A 598
GLY A 597
 None
None
SO4  A1724 (-2.5A)
None
 0.94A 5cdnC-4b3iA:
undetectable
5cdnD-4b3iA:
undetectable		 5cdnC-4b3iA:
21.63
5cdnD-4b3iA:
14.37
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 6 GLU A 414
GLY A 601
ARG A 598
GLY A 597
 None
None
SO4  A1724 (-2.5A)
None
 0.93A 5cdnT-4b3iA:
undetectable
5cdnU-4b3iA:
2.7		 5cdnT-4b3iA:
21.63
5cdnU-4b3iA:
14.37
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.
5I73_A_68PA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 9 ALA C 103
GLN C 104
GLU C   4
ILE C 269
PHE C   6
 None
 1.12A 5i73A-4b3iC:
undetectable		 5i73A-4b3iC:
22.53
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.
5IEN_B_VDYB201_1
(CDL2.2)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 10 TYR A 286
ILE A 282
VAL C 194
LEU C  31
PRO C  14
 None
 1.02A 5ienB-4b3iA:
undetectable		 5ienB-4b3iA:
11.80
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 5 ALA C 102
ALA C 116
ILE C  55
LEU C  88
 None
 0.71A 5jncD-4b3iC:
undetectable		 5jncD-4b3iC:
20.64
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 11 GLU A 414
ALA A 333
GLY A 332
ALA A 411
LEU A 448
 None
 1.08A 5lf7H-4b3iA:
undetectable
5lf7I-4b3iA:
undetectable		 5lf7H-4b3iA:
15.81
5lf7I-4b3iA:
15.54
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 11 GLU A 414
ALA A 333
GLY A 332
ALA A 411
LEU A 448
 None
 1.09A 5lf7V-4b3iA:
undetectable
5lf7W-4b3iA:
undetectable		 5lf7V-4b3iA:
15.81
5lf7W-4b3iA:
15.54
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.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		4 / 8 LEU C 300
ALA C 229
VAL C 333
MET C 127
 None
 0.98A 5nu7A-4b3iC:
undetectable		 5nu7A-4b3iC:
19.95
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 SER C 174
PHE C 187
ALA C 354
THR C 364
GLU C 375
 None
 1.20A 5vcgA-4b3iC:
undetectable		 5vcgA-4b3iC:
21.46
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ALA C 363
GLU C  97
LEU C 388
ILE C 390
VAL C  59
 None
 1.40A 5vlmE-4b3iC:
undetectable		 5vlmE-4b3iC:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 PRO A 140
GLY A  67
LEU A 118
GLY A 117
GLY A 116
 COA  A1730 (-4.2A)
COA  A1730 ( 4.3A)
None
None
None
 0.88A 5wyqB-4b3iA:
undetectable		 5wyqB-4b3iA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 101
VAL A  42
ASP A  43
 None
 0.59A 5x23A-4b3iA:
undetectable		 5x23A-4b3iA:
21.05
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.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 197
LEU A 114
ALA A 113
LEU A 137
 None
COA  A1730 ( 4.4A)
None
None
 0.85A 5y7pC-4b3iA:
undetectable		 5y7pC-4b3iA:
18.03
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA
(Mycobacterium
tuberculosis) 		5 / 12 ALA C 329
LEU C 388
VAL C 373
VAL C 267
LEU C 361
 None
 1.10A 6djzC-4b3iC:
undetectable		 6djzC-4b3iC:
18.34
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.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 353
ILE A 445
MET A 336
GLY A 339
 None
 1.06A 6hd6A-4b3iA:
undetectable		 6hd6A-4b3iA:
7.49