SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wge'

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.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 5 HIS A 276
ALA A 274
SER A 272
HIS A 407
 None
 1.38A 1errA-2wgeA:
undetectable
1errB-2wgeA:
undetectable		 1errA-2wgeA:
21.34
1errB-2wgeA:
21.34
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.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 4 SER A 175
ILE A 178
VAL A 359
THR A  32
 None
 1.00A 1u70A-2wgeA:
undetectable		 1u70A-2wgeA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ADM_A_SAMA500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 338
PRO A 368
GLU A 354
PRO A 229
PHE A 230
 None
None
NA  A1426 (-3.2A)
None
None
 1.29A 2admA-2wgeA:
undetectable		 2admA-2wgeA:
22.44
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 338
PRO A 368
GLU A 354
PRO A 229
PHE A 230
 None
None
NA  A1426 (-3.2A)
None
None
 1.32A 2admB-2wgeA:
undetectable		 2admB-2wgeA:
22.44
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.
2AVD_A_SAMA501_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 MET A  86
GLY A 149
TYR A  82
SER A  81
ALA A 152
 None
 1.38A 2avdA-2wgeA:
undetectable		 2avdA-2wgeA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 115
SER A 169
SER A 173
THR A 114
GLY A 113
 None
 1.14A 2hmaA-2wgeA:
undetectable		 2hmaA-2wgeA:
22.99
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.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 348
GLY A 196
GLY A 174
LEU A 245
LEU A  94
 None
 1.06A 2nxeB-2wgeA:
undetectable		 2nxeB-2wgeA:
24.47
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		3 / 3 GLY A  62
GLY A 344
GLY A 240
 None
 0.42A 3bogC-2wgeA:
undetectable		 3bogC-2wgeA:
13.11
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.
3BOG_D_DVAD10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		3 / 3 GLY A  62
GLY A 344
GLY A 240
 None
 0.33A 3bogD-2wgeA:
undetectable		 3bogD-2wgeA:
13.11
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.
3BOG_D_DVAD10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		3 / 3 GLY A 344
GLY A  62
GLY A 240
 None
 0.41A 3bogD-2wgeA:
undetectable		 3bogD-2wgeA:
13.11
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 198
GLY A 197
GLY A 174
ALA A 150
ILE A 154
 None
 0.91A 3fuuA-2wgeA:
undetectable		 3fuuA-2wgeA:
22.94
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.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 THR A  32
LEU A 343
GLY A 348
ILE A 178
LEU A 357
 None
 1.02A 3ijdA-2wgeA:
undetectable		 3ijdA-2wgeA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 10 SER A 341
LYS A 340
GLY A 344
SER A  41
LEU A 353
 None
NA  A1426 ( 4.9A)
None
None
None
 1.40A 3ik6B-2wgeA:
undetectable
3ik6E-2wgeA:
undetectable		 3ik6B-2wgeA:
21.88
3ik6E-2wgeA:
21.88
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 174
GLY A 403
SER A 401
ALA A 410
ALA A 290
 None
TLM  A1424 (-3.9A)
None
None
None
 1.13A 3keeA-2wgeA:
undetectable		 3keeA-2wgeA:
16.95
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.10A 3keeA-2wgeA:
undetectable		 3keeA-2wgeA:
16.95
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.11A 3keeB-2wgeA:
undetectable		 3keeB-2wgeA:
16.95
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.09A 3keeC-2wgeA:
undetectable		 3keeC-2wgeA:
16.95
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 174
GLY A 403
SER A 401
ALA A 410
ALA A 290
 None
TLM  A1424 (-3.9A)
None
None
None
 1.13A 3keeD-2wgeA:
undetectable		 3keeD-2wgeA:
16.95
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.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 8 GLU A 322
LEU A 382
ALA A 310
ALA A 338
 None
 1.00A 3ns1L-2wgeA:
undetectable		 3ns1L-2wgeA:
19.39
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 245
ASN A 399
GLY A 174
ALA A 177
ALA A 181
 None
NA  A1426 (-3.2A)
None
None
None
 0.72A 3p5nB-2wgeA:
undetectable		 3p5nB-2wgeA:
17.06
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.
3PHN_A_ACTA108_0
(PROTEIN P-30)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		3 / 3 THR A 271
SER A 272
ARG A 286
 None
 0.73A 3phnA-2wgeA:
undetectable		 3phnA-2wgeA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 8 GLY A 163
ALA A 162
ASP A 106
GLY A 159
 None
 0.70A 3so9A-2wgeA:
undetectable		 3so9A-2wgeA:
12.89
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.
3SUE_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.06A 3sueA-2wgeA:
undetectable		 3sueA-2wgeA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 174
GLY A 403
SER A 401
ALA A 410
ALA A 290
 None
TLM  A1424 (-3.9A)
None
None
None
 1.10A 3sueB-2wgeA:
undetectable		 3sueB-2wgeA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.07A 3sueB-2wgeA:
undetectable		 3sueB-2wgeA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 174
GLY A 403
SER A 401
ALA A 410
ALA A 290
 None
TLM  A1424 (-3.9A)
None
None
None
 1.10A 3sueC-2wgeA:
undetectable		 3sueC-2wgeA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.05A 3sueC-2wgeA:
undetectable		 3sueC-2wgeA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.03A 3sufA-2wgeA:
undetectable		 3sufA-2wgeA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 174
GLY A 403
SER A 401
ALA A 410
ALA A 290
 None
TLM  A1424 (-3.9A)
None
None
None
 1.13A 3sufC-2wgeA:
undetectable		 3sufC-2wgeA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_A_SAMA501_0
(MNMC2)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 TYR A  82
GLY A 197
GLY A 348
ALA A  21
LEU A  90
 None
 1.16A 3vywA-2wgeA:
undetectable		 3vywA-2wgeA:
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.
3VYW_D_SAMD401_0
(MNMC2)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 TYR A  82
GLY A 197
GLY A 348
ALA A  21
LEU A  90
 None
 1.16A 3vywD-2wgeA:
undetectable		 3vywD-2wgeA:
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.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 6 GLU A 252
ASP A 191
ASP A 104
ARG A 107
 None
 1.35A 4kcnA-2wgeA:
undetectable		 4kcnA-2wgeA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 6 GLU A 252
ASP A 191
ASP A 104
ARG A 107
 None
 1.30A 4kcnB-2wgeA:
undetectable		 4kcnB-2wgeA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L78_A_ACTA1327_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 4 VAL A  15
THR A 250
GLU A 251
GLU A 252
 None
 1.06A 4l78A-2wgeA:
undetectable		 4l78A-2wgeA:
16.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		9 / 12 GLY A 115
ALA A 170
CYH A 171
GLU A 199
PHE A 210
HIS A 311
THR A 313
HIS A 345
GLY A 403
 None
None
TLM  A1424 (-3.0A)
GOL  A1421 (-3.9A)
None
TLM  A1424 (-4.0A)
TLM  A1424 (-3.6A)
TLM  A1424 (-3.9A)
TLM  A1424 (-3.9A)
 0.52A 4ls7A-2wgeA:
59.1		 4ls7A-2wgeA:
39.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		6 / 12 GLY A 115
ALA A 170
GLU A 199
PHE A 210
GLY A 403
PHE A 404
 None
None
GOL  A1421 (-3.9A)
None
TLM  A1424 (-3.9A)
TLM  A1424 (-3.9A)
 0.88A 4ls7A-2wgeA:
59.1		 4ls7A-2wgeA:
39.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		7 / 12 ALA A 170
CYH A 171
PHE A 210
HIS A 311
THR A 313
HIS A 345
GLY A 403
 None
TLM  A1424 (-3.0A)
None
TLM  A1424 (-4.0A)
TLM  A1424 (-3.6A)
TLM  A1424 (-3.9A)
TLM  A1424 (-3.9A)
 0.45A 4ls7A-2wgeA:
59.1
4ls7B-2wgeA:
59.0		 4ls7A-2wgeA:
39.72
4ls7B-2wgeA:
39.72
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  94
ALA A  21
ILE A 248
GLY A 196
ALA A 352
 None
 0.96A 4nkxB-2wgeA:
undetectable		 4nkxB-2wgeA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 178
GLY A 174
ALA A 352
LEU A 353
LEU A 343
 None
 0.95A 4o1zA-2wgeA:
undetectable		 4o1zA-2wgeA:
20.49
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.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 8 ALA A 177
ILE A 178
LEU A 245
ALA A 242
 None
 0.78A 4wboB-2wgeA:
undetectable		 4wboB-2wgeA:
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.
4ZZC_A_ACTA401_0
(PROTON-GATED ION
CHANNEL)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 6 ILE A 380
PHE A 230
ILE A 326
GLU A 322
 None
 0.99A 4zzcA-2wgeA:
undetectable
4zzcB-2wgeA:
undetectable		 4zzcA-2wgeA:
20.33
4zzcB-2wgeA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_B_ACTB401_0
(PROTON-GATED ION
CHANNEL)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 6 ILE A 380
PHE A 230
ILE A 326
GLU A 322
 None
 1.08A 4zzcB-2wgeA:
undetectable
4zzcC-2wgeA:
undetectable		 4zzcB-2wgeA:
20.33
4zzcC-2wgeA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 405
ASP A 273
GLY A 351
SER A 401
HIS A 311
 None
TLM  A1424 ( 4.6A)
None
None
TLM  A1424 (-4.0A)
 1.19A 5hikA-2wgeA:
undetectable		 5hikA-2wgeA:
21.14
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 209
GLY A  61
PHE A 239
LEU A 205
GLY A 236
 None
None
GOL  A1421 (-4.2A)
None
None
 0.97A 5i73A-2wgeA:
undetectable		 5i73A-2wgeA:
20.94
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 209
GLY A  61
PHE A 239
LEU A 205
GLY A 236
 None
None
GOL  A1421 (-4.2A)
None
None
 0.92A 5i75A-2wgeA:
undetectable		 5i75A-2wgeA:
20.94
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		4 / 7 ASP A 273
PHE A 402
GLY A 288
GLY A 284
 TLM  A1424 ( 4.6A)
None
None
None
 1.05A 5n9xA-2wgeA:
undetectable		 5n9xA-2wgeA:
24.14
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.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 377
ARG A 234
ILE A 347
ALA A 170
ALA A 279
 None
None
GOL  A1421 (-3.9A)
None
IPA  A1423 (-4.5A)
 1.00A 5vc0A-2wgeA:
undetectable		 5vc0A-2wgeA:
21.88
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)		 2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 236
GLY A 318
PHE A 230
ALA A 338
ALA A 310
 None
TLM  A1424 ( 4.0A)
None
None
None
 1.06A 6c2mD-2wgeA:
undetectable		 6c2mD-2wgeA:
11.54