SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4w1w'

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.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 4 HIS A 158
LEU A 240
LEU A 251
LEU A 115
 None
 1.19A 1a4lD-4w1wA:
undetectable		 1a4lD-4w1wA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D8C_A_SORA4000_0
(MALATE SYNTHASE G)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		3 / 3 GLN A 224
HIS A 232
PRO A 221
 None
 0.88A 1d8cA-4w1wA:
undetectable		 1d8cA-4w1wA:
21.57
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.
1R5L_A_VIVA301_1
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 4 SER A 127
SER A 121
LEU A 296
PHE A 119
 None
 1.15A 1r5lA-4w1wA:
undetectable		 1r5lA-4w1wA:
20.05
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 110
GLY A 261
ALA A 268
GLU A 334
ALA A 284
 None
 1.14A 1sg9C-4w1wA:
undetectable		 1sg9C-4w1wA:
21.00
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.
1TBF_A_VIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 336
LEU A 266
VAL A 281
ALA A 294
LEU A 103
 None
 1.12A 1tbfA-4w1wA:
undetectable		 1tbfA-4w1wA:
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.
1TKQ_A_DVAA6_0
(MINI-GRAMICIDIN A)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		3 / 3 ALA A 183
VAL A 181
TRP A 178
 None
 0.60A 1tkqA-4w1wA:
undetectable		 1tkqA-4w1wA:
6.10
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 155
GLY A 156
GLY A 225
HIS A 171
ARG A 403
 None
 1.13A 1wg8A-4w1wA:
undetectable		 1wg8A-4w1wA:
22.88
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 264
GLY A 372
LEU A 352
GLY A 375
ARG A 369
 None
 1.20A 1y4lA-4w1wA:
undetectable		 1y4lA-4w1wA:
12.56
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.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 LEU A  46
ASP A  59
GLY A 288
ALA A  41
 None
 0.85A 2aohA-4w1wA:
undetectable		 2aohA-4w1wA:
14.82
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.
2EIL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 8 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.88A 2eilN-4w1wA:
undetectable
2eilW-4w1wA:
undetectable		 2eilN-4w1wA:
22.73
2eilW-4w1wA:
7.23
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.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 ILE A 252
LEU A 266
THR A 111
ILE A 167
GLY A 282
 None
 1.30A 2v0mA-4w1wA:
undetectable		 2v0mA-4w1wA:
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 376
GLY A 227
VAL A 223
ASP A 169
 None
 0.89A 2y05A-4w1wA:
2.2
2y05B-4w1wA:
2.2		 2y05A-4w1wA:
21.51
2y05B-4w1wA:
21.51
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.91A 2zxwN-4w1wA:
0.5
2zxwW-4w1wA:
undetectable		 2zxwN-4w1wA:
22.73
2zxwW-4w1wA:
7.23
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.
3AG2_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.90A 3ag2N-4w1wA:
undetectable
3ag2W-4w1wA:
undetectable		 3ag2N-4w1wA:
22.73
3ag2W-4w1wA:
7.23
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.
3AG3_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 8 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.87A 3ag3N-4w1wA:
undetectable
3ag3W-4w1wA:
undetectable		 3ag3N-4w1wA:
22.73
3ag3W-4w1wA:
7.23
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.88A 3ag4N-4w1wA:
undetectable
3ag4W-4w1wA:
undetectable		 3ag4N-4w1wA:
22.73
3ag4W-4w1wA:
7.23
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 VAL A 370
GLY A 375
THR A 423
ILE A 419
LEU A 348
 None
 1.17A 3bexC-4w1wA:
undetectable
3bexD-4w1wA:
undetectable		 3bexC-4w1wA:
18.88
3bexD-4w1wA:
18.88
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.16A 3bexC-4w1wA:
undetectable
3bexD-4w1wA:
undetectable		 3bexC-4w1wA:
18.88
3bexD-4w1wA:
18.88
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 370
GLY A 375
THR A 423
ILE A 419
LEU A 348
 None
 1.17A 3bexE-4w1wA:
2.1
3bexF-4w1wA:
2.1		 3bexE-4w1wA:
18.88
3bexF-4w1wA:
18.88
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.16A 3bexE-4w1wA:
2.1
3bexF-4w1wA:
2.1		 3bexE-4w1wA:
18.88
3bexF-4w1wA:
18.88
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 VAL A 370
GLY A 375
THR A 423
ILE A 419
LEU A 348
 None
 1.22A 3bf1A-4w1wA:
2.1
3bf1B-4w1wA:
undetectable		 3bf1A-4w1wA:
18.88
3bf1B-4w1wA:
18.88
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.19A 3bf1A-4w1wA:
2.1
3bf1B-4w1wA:
undetectable		 3bf1A-4w1wA:
18.88
3bf1B-4w1wA:
18.88
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 VAL A 370
GLY A 375
THR A 423
ILE A 419
LEU A 348
 None
 1.18A 3bf1C-4w1wA:
undetectable
3bf1D-4w1wA:
2.0		 3bf1C-4w1wA:
18.88
3bf1D-4w1wA:
18.88
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.15A 3bf1C-4w1wA:
undetectable
3bf1D-4w1wA:
undetectable		 3bf1C-4w1wA:
18.88
3bf1D-4w1wA:
18.88
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 VAL A 370
GLY A 375
THR A 423
ILE A 419
LEU A 348
 None
 1.18A 3bf1E-4w1wA:
2.0
3bf1F-4w1wA:
2.2		 3bf1E-4w1wA:
18.88
3bf1F-4w1wA:
18.88
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.18A 3bf1E-4w1wA:
2.0
3bf1F-4w1wA:
2.2		 3bf1E-4w1wA:
18.88
3bf1F-4w1wA:
18.88
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.
3BJW_C_SVRC505_2
(PHOSPHOLIPASE A2)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 VAL A 218
VAL A 219
GLN A 190
ARG A 230
 None
 1.24A 3bjwH-4w1wA:
undetectable		 3bjwH-4w1wA:
12.44
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.
3BJW_C_SVRC507_2
(PHOSPHOLIPASE A2)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A 218
VAL A 219
GLN A 190
ARG A 230
 None
 1.14A 3bjwF-4w1wA:
undetectable		 3bjwF-4w1wA:
12.44
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.
3BJW_G_SVRG506_2
(PHOSPHOLIPASE A2)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 VAL A 218
VAL A 219
GLN A 190
ARG A 230
 None
 1.29A 3bjwB-4w1wA:
undetectable		 3bjwB-4w1wA:
12.44
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.
3BXO_B_SAMB238_0
(N,N-DIMETHYLTRANSFER
ASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 226
GLY A 227
HIS A 158
ARG A 400
TYR A  25
 3G8  A 502 ( 4.3A)
None
None
3G8  A 502 (-3.7A)
3G8  A 502 (-3.5A)
 1.47A 3bxoB-4w1wA:
2.1		 3bxoB-4w1wA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 427
ALA A 430
ALA A 392
VAL A 397
THR A 358
 None
 1.13A 3czhA-4w1wA:
undetectable		 3czhA-4w1wA:
20.35
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 282
GLY A 124
ALA A 294
THR A 295
ALA A 257
 None
PLP  A 501 (-3.2A)
None
None
PLP  A 501 (-3.2A)
 1.09A 3g88A-4w1wA:
undetectable		 3g88A-4w1wA:
22.51
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 282
GLY A 124
ALA A 294
THR A 295
ALA A 257
 None
PLP  A 501 (-3.2A)
None
None
PLP  A 501 (-3.2A)
 1.06A 3g88B-4w1wA:
undetectable		 3g88B-4w1wA:
22.51
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 282
GLY A 124
ALA A 294
THR A 295
ALA A 257
 None
PLP  A 501 (-3.2A)
None
None
PLP  A 501 (-3.2A)
 1.06A 3g89A-4w1wA:
undetectable		 3g89A-4w1wA:
22.51
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 GLY A 282
GLY A 124
ALA A 294
THR A 295
ALA A 257
 None
PLP  A 501 (-3.2A)
None
None
PLP  A 501 (-3.2A)
 1.07A 3g89B-4w1wA:
undetectable		 3g89B-4w1wA:
22.51
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 282
GLY A 124
ALA A 294
THR A 295
ALA A 257
 None
PLP  A 501 (-3.2A)
None
None
PLP  A 501 (-3.2A)
 1.09A 3g8bA-4w1wA:
undetectable		 3g8bA-4w1wA:
22.51
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.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 282
GLY A 124
ALA A 294
THR A 295
ALA A 257
 None
PLP  A 501 (-3.2A)
None
None
PLP  A 501 (-3.2A)
 1.06A 3g8bB-4w1wA:
undetectable		 3g8bB-4w1wA:
22.51
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.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 150
GLN A 185
ALA A 183
SER A 166
 None
 0.92A 3kp6A-4w1wA:
undetectable		 3kp6A-4w1wA:
15.15
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 ASN A 404
ALA A 425
LEU A 405
PHE A 402
LEU A 399
 None
 1.06A 3p2kA-4w1wA:
undetectable		 3p2kA-4w1wA:
18.12
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.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		3 / 3 HIS A  69
HIS A  73
ILE A 413
 None
 0.77A 3u52A-4w1wA:
undetectable
3u52C-4w1wA:
undetectable		 3u52A-4w1wA:
21.02
3u52C-4w1wA:
22.10
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.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 ARG A 360
THR A 353
GLY A 375
VAL A 376
ILE A 374
 None
 1.33A 3uayA-4w1wA:
undetectable		 3uayA-4w1wA:
20.57
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 257
PHE A 267
ASP A 270
ALA A 269
ASP A 254
 PLP  A 501 (-3.2A)
None
None
None
PLP  A 501 (-2.8A)
 1.24A 4df3A-4w1wA:
undetectable		 4df3A-4w1wA:
21.06
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 ALA A 293
ALA A 325
LEU A 285
THR A 286
 None
 0.98A 4dtzA-4w1wA:
undetectable		 4dtzA-4w1wA:
20.53
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.
4DTZ_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 ALA A 293
ALA A 325
LEU A 285
THR A 286
 None
 0.98A 4dtzB-4w1wA:
undetectable		 4dtzB-4w1wA:
20.53
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 ALA A 293
ALA A 325
LEU A 285
THR A 286
 None
 0.95A 4du2A-4w1wA:
undetectable		 4du2A-4w1wA:
20.70
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.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  55
VAL A  57
LEU A  48
MET A 426
ALA A 392
 None
 1.44A 4m11A-4w1wA:
undetectable		 4m11A-4w1wA:
21.49
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 383
LEU A 362
LEU A 356
LEU A 352
ALA A  60
 None
 1.29A 4rtbA-4w1wA:
undetectable		 4rtbA-4w1wA:
21.16
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.
5B1A_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.92A 5b1aN-4w1wA:
undetectable
5b1aW-4w1wA:
undetectable		 5b1aN-4w1wA:
22.73
5b1aW-4w1wA:
7.23
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.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 352
ALA A 408
THR A 415
GLY A 396
LEU A  58
 None
None
EDO  A 507 (-4.3A)
None
None
 1.14A 5m5cB-4w1wA:
undetectable		 5m5cB-4w1wA:
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 352
ALA A 408
THR A 415
GLY A 396
LEU A  58
 None
None
EDO  A 507 (-4.3A)
None
None
 1.12A 5m5cE-4w1wA:
undetectable		 5m5cE-4w1wA:
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.
5MVM_E_PFLE409_1
(PROTON-GATED ION
CHANNEL)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 ILE A 167
ALA A 164
LEU A 163
ALA A 131
ILE A 278
 None
 0.93A 5mvmD-4w1wA:
undetectable
5mvmE-4w1wA:
undetectable		 5mvmD-4w1wA:
10.78
5mvmE-4w1wA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		3 / 3 THR A 318
HIS A  89
ASN A 322
 None
 0.90A 5n4tA-4w1wA:
2.9		 5n4tA-4w1wA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 THR A 161
SER A 121
ALA A 293
THR A 295
ALA A 135
 None
 1.10A 6efnA-4w1wA:
undetectable		 6efnA-4w1wA:
21.30