SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4x28'

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.
1FAP_A_RAPA108_2
(FK506-BINDING
PROTEIN
FRAP)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 8 LEU D  93
PHE D 101
GLY D 102
TRP D 220
 None
 0.82A 1fapB-4x28D:
undetectable		 1fapB-4x28D:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_B_ACTB1868_0
(FPRA)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ALA D 322
HIS D 323
VAL D 326
 None
 0.24A 1lqtB-4x28D:
undetectable		 1lqtB-4x28D:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_B_ACTB1425_0
(FPRA)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ALA D 322
HIS D 323
VAL D 326
 None
 0.23A 1lquB-4x28D:
undetectable		 1lquB-4x28D:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 GLU A 343
ASN A 288
TRP A 284
 None
 1.04A 1r15C-4x28A:
undetectable		 1r15C-4x28A:
20.34
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 GLU A 343
ASN A 288
TRP A 284
 None
 1.08A 1r15D-4x28A:
undetectable		 1r15D-4x28A:
20.34
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 GLU A 343
ASN A 288
TRP A 284
 None
 1.06A 1r15E-4x28A:
undetectable		 1r15E-4x28A:
20.34
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 GLU A 343
ASN A 288
TRP A 284
 None
 1.04A 1r15F-4x28A:
undetectable		 1r15F-4x28A:
20.34
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 9 VAL D 289
THR D 223
GLY D 311
THR D 309
ALA D 310
 None
 1.49A 2cojA-4x28D:
undetectable
2cojB-4x28D:
undetectable		 2cojA-4x28D:
21.90
2cojB-4x28D:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JB7_B_ACTB1169_0
(HYPOTHETICAL PROTEIN
PAE2307)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG D 362
ARG D 366
ARG D 363
 None
 1.02A 2jb7A-4x28D:
undetectable
2jb7B-4x28D:
undetectable
2jb7C-4x28D:
undetectable		 2jb7A-4x28D:
17.02
2jb7B-4x28D:
17.02
2jb7C-4x28D:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JB7_B_ACTB1169_0
(HYPOTHETICAL PROTEIN
PAE2307)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG D 363
ARG D 362
ARG D 366
 None
 1.05A 2jb7A-4x28D:
undetectable
2jb7B-4x28D:
undetectable
2jb7C-4x28D:
undetectable		 2jb7A-4x28D:
17.02
2jb7B-4x28D:
17.02
2jb7C-4x28D:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JB7_B_ACTB1169_0
(HYPOTHETICAL PROTEIN
PAE2307)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG D 366
ARG D 363
ARG D 362
 None
 1.00A 2jb7A-4x28D:
undetectable
2jb7B-4x28D:
undetectable
2jb7C-4x28D:
undetectable		 2jb7A-4x28D:
17.02
2jb7B-4x28D:
17.02
2jb7C-4x28D:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 368
LEU A 345
GLY A 346
PHE D 352
VAL A 264
 None
 1.13A 2kceB-4x28A:
undetectable		 2kceB-4x28A:
20.88
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.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)		 4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		5 / 12 GLN D 360
ALA D 315
GLY A 346
LEU A 345
LEU D 354
 None
 1.06A 2nv4A-4x28D:
undetectable		 2nv4A-4x28D:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		5 / 12 GLN D 360
ALA D 315
GLY A 346
LEU A 345
LEU D 354
 None
 0.92A 2nv4B-4x28D:
undetectable		 2nv4B-4x28D:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 4 ALA D 263
VAL D 328
PHE D 261
THR A 380
 FDA  A 501 ( 4.5A)
FDA  A 501 (-3.9A)
FDA  A 501 (-3.6A)
FDA  A 501 (-3.3A)
 1.24A 2pkkA-4x28D:
undetectable		 2pkkA-4x28D:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 385
THR A 331
VAL A 328
 None
 0.87A 2q64A-4x28A:
undetectable		 2q64A-4x28A:
14.25
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.
2QD4_A_CHDA801_0
(FERROCHELATASE)		 4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		5 / 12 LEU D 193
GLN D 151
HIS A 368
LEU A 372
VAL D 326
 None
 1.37A 2qd4A-4x28D:
undetectable		 2qd4A-4x28D:
20.30
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.
2X45_B_HSMB1162_1
(ALLERGEN ARG R 1)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 GLU A 343
HIS D 319
GLU D 351
 None
 0.85A 2x45B-4x28A:
undetectable		 2x45B-4x28A:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 224
ASN A 155
GLY A 156
VAL A 174
 None
 0.90A 2y05A-4x28A:
undetectable
2y05B-4x28A:
undetectable		 2y05A-4x28A:
21.12
2y05B-4x28A:
21.12
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.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 PRO A 100
THR A 101
ASN A 242
ILE A 127
PRO A  91
 None
None
None
FDA  A 501 (-4.4A)
None
 1.23A 3a51B-4x28A:
undetectable		 3a51B-4x28A:
23.36
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.
3BJW_C_SVRC507_1
(PHOSPHOLIPASE A2)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL D  91
VAL D  92
GLY D  96
PRO D  58
 None
 0.93A 3bjwC-4x28D:
undetectable		 3bjwC-4x28D:
17.14
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.
3BJW_G_SVRG506_1
(PHOSPHOLIPASE A2)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 8 VAL D  91
VAL D  92
GLY D  96
PRO D  58
 None
 0.94A 3bjwA-4x28D:
undetectable		 3bjwA-4x28D:
17.14
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 337
PHE A 258
LEU A 261
ARG A 262
LEU A 289
 None
 1.13A 3k2hA-4x28A:
undetectable		 3k2hA-4x28A:
20.34
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG D 320
THR A 380
THR D 244
 None
FDA  A 501 (-3.3A)
None
 0.58A 3k2hB-4x28D:
undetectable		 3k2hB-4x28D:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY D 111
PHE D 161
ALA D 177
ALA D 178
ASP D 180
 None
 1.08A 3keeC-4x28D:
undetectable		 3keeC-4x28D:
20.43
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.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 PHE D 352
THR D 190
ALA D 347
LEU D 237
LEU D 345
 None
 1.36A 3lcvB-4x28D:
undetectable		 3lcvB-4x28D:
23.20
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.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 GLU A 232
GLY A 236
ALA A 235
ILE A 189
ALA A 173
 None
 1.20A 3nmuB-4x28A:
2.6
3nmuJ-4x28A:
undetectable		 3nmuB-4x28A:
22.73
3nmuJ-4x28A:
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.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  77
LEU A 299
PRO A 254
GLY A 330
THR A 331
 None
 1.37A 3okxA-4x28A:
undetectable		 3okxA-4x28A:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OKX_B_SAMB201_1
(YAEB-LIKE PROTEIN
RPA0152)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  77
LEU A 299
PRO A 254
GLY A 330
THR A 331
 None
 1.34A 3okxB-4x28A:
undetectable		 3okxB-4x28A:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZK_A_T44A128_1
(TRANSTHYRETIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 9 THR A 214
ALA A 216
SER A 202
THR A 204
VAL A 206
 FDA  A 501 ( 4.2A)
None
None
None
None
 1.43A 3ozkA-4x28A:
undetectable		 3ozkA-4x28A:
15.83
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY D 311
ALA D 357
ALA D 315
LEU D 227
LEU D 354
 None
 1.03A 3p2kA-4x28D:
undetectable		 3p2kA-4x28D:
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.
3U9F_H_CLMH221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU D  43
VAL D  20
VAL D  85
CYH D  24
HIS D  28
 None
 1.39A 3u9fH-4x28D:
undetectable
3u9fI-4x28D:
undetectable		 3u9fH-4x28D:
18.57
3u9fI-4x28D:
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.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU D  43
VAL D  20
VAL D  85
CYH D  24
HIS D  28
 None
 1.42A 3u9fJ-4x28D:
undetectable
3u9fK-4x28D:
undetectable		 3u9fJ-4x28D:
18.57
3u9fK-4x28D:
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.
3U9F_S_CLMS221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 CYH D  24
HIS D  28
LEU D  43
VAL D  20
VAL D  85
 None
 1.45A 3u9fP-4x28D:
undetectable
3u9fS-4x28D:
undetectable		 3u9fP-4x28D:
18.57
3u9fS-4x28D:
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 8 GLN D 349
GLY D 192
GLY A 362
ASN A 354
 None
 0.84A 3v3nB-4x28D:
undetectable		 3v3nB-4x28D:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 8 GLN D 349
GLY D 192
GLY A 362
ASN A 354
 None
 0.83A 3v3nC-4x28D:
undetectable		 3v3nC-4x28D:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BVA_A_T3A1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL D 152
GLY D 155
VAL D 185
ARG D 149
PRO D 164
 None
 1.45A 4bvaA-4x28D:
undetectable		 4bvaA-4x28D:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BVA_B_T3B1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL D 152
GLY D 155
VAL D 185
ARG D 149
PRO D 164
 None
 1.44A 4bvaB-4x28D:
undetectable		 4bvaB-4x28D:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 10 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.35A 4e47D-4x28D:
undetectable		 4e47D-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.34A 4j83A-4x28D:
undetectable		 4j83A-4x28D:
21.96
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.31A 4jdsA-4x28D:
undetectable		 4jdsA-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.34A 4jdsD-4x28D:
undetectable		 4jdsD-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.36A 4jlgB-4x28D:
undetectable		 4jlgB-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 VAL D 289
ALA D 286
GLY D 222
SER D 228
ASP D 292
 None
 0.97A 4mm9A-4x28D:
undetectable		 4mm9A-4x28D:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA603_1
(SERUM ALBUMIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 10 LEU D  98
LEU D 121
VAL D 163
LEU D 199
VAL D 185
 None
 1.16A 4po0A-4x28D:
undetectable		 4po0A-4x28D:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 10 TYR A 152
LEU A 141
ALA A 139
ALA A 173
GLY A 188
 None
 1.26A 4rn6A-4x28A:
undetectable		 4rn6A-4x28A:
21.95
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 10 ALA D  94
ALA D  97
VAL D 212
LEU D 125
VAL D 173
 None
 1.23A 5eb5B-4x28D:
undetectable		 5eb5B-4x28D:
22.72
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 GLY A 275
THR D 146
PRO D 133
 None
 0.62A 5v5zA-4x28A:
undetectable		 5v5zA-4x28A:
20.96
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 LEU D  43
VAL D  16
ASP D  17
 None
 0.51A 5x23A-4x28D:
undetectable		 5x23A-4x28D:
20.50
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.
5X6Y_C_SAMC901_0
(MRNA CAPPING ENZYME
P5)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 VAL D 152
GLY D 153
SER D  90
ALA D 124
LEU D 199
 None
 1.20A 5x6yC-4x28D:
undetectable		 5x6yC-4x28D:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 SER A   4
ARG A  13
GLU A  10
TYR A   5
 None
 1.32A 5x7pA-4x28A:
undetectable		 5x7pA-4x28A:
16.15
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.
5X7P_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 SER A   4
ARG A  13
GLU A  10
TYR A   5
 None
 1.34A 5x7pB-4x28A:
undetectable		 5x7pB-4x28A:
16.15
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.
5X7Q_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 SER A   4
ARG A  13
GLU A  10
TYR A   5
 None
 1.35A 5x7qA-4x28A:
undetectable		 5x7qA-4x28A:
16.15
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.
5X7Q_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 SER A   4
ARG A  13
GLU A  10
TYR A   5
 None
 1.37A 5x7qB-4x28A:
undetectable		 5x7qB-4x28A:
16.15
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.
5X7R_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 SER A   4
ARG A  13
GLU A  10
TYR A   5
 None
 1.37A 5x7rA-4x28A:
undetectable		 5x7rA-4x28A:
16.15
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.
5X7R_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 SER A   4
ARG A  13
GLU A  10
TYR A   5
 None
 1.36A 5x7rB-4x28A:
1.7		 5x7rB-4x28A:
16.15
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 GLY A 156
TYR A 218
LEU A 172
VAL A 222
 None
 0.79A 5x80A-4x28A:
undetectable
5x80B-4x28A:
undetectable		 5x80A-4x28A:
17.88
5x80B-4x28A:
17.88
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.
6D8F_A_ACTA803_0
(UNCHARACTERIZED
PROTEIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 GLU D  31
LEU D  32
ARG D 342
 None
 0.76A 6d8fA-4x28D:
undetectable		 6d8fA-4x28D:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		4 / 5 GLU A 382
VAL D 264
LEU D 268
THR D 324
 FDA  A 501 (-2.8A)
None
None
None
 1.45A 6dyoA-4x28A:
undetectable		 6dyoA-4x28A:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		3 / 3 PHE D 352
ARG A 339
ALA D 322
 None
 0.96A 6ecfB-4x28D:
undetectable		 6ecfB-4x28D:
26.85
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 TYR D 154
ASP D  40
CYH D  24
GLU D  42
 None
 1.36A 6mn5A-4x28D:
undetectable		 6mn5A-4x28D:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 6 TYR D 154
ASP D  40
CYH D  24
GLU D  42
 None
 1.29A 6mn5C-4x28D:
undetectable		 6mn5C-4x28D:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		5 / 11 GLY D 311
GLN D 233
ARG A 339
PHE D 352
GLY D 355
 None
 1.17A 6nknA-4x28D:
0.9
6nknB-4x28D:
undetectable
6nknT-4x28D:
undetectable		 6nknA-4x28D:
20.69
6nknB-4x28D:
19.34
6nknT-4x28D:
12.33