SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ilw'

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.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 302
LEU A 274
PRO A 275
VAL A 278
ILE A 314
 None
 0.79A 1df7A-3ilwA:
undetectable		 1df7A-3ilwA:
17.23
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.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 316
LEU A 274
PRO A 275
VAL A 278
ILE A 314
 None
 1.00A 1df7A-3ilwA:
undetectable		 1df7A-3ilwA:
17.23
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 223
LEU A 197
GLY A 225
PRO A 226
TYR A 107
 None
 1.34A 1equA-3ilwA:
undetectable		 1equA-3ilwA:
24.16
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		4 / 4 LEU A 205
PRO A 167
ILE A 373
LEU A 370
 None
 0.85A 1ya4B-3ilwA:
undetectable		 1ya4B-3ilwA:
21.24
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		4 / 4 LEU A 205
PRO A 167
ILE A 373
LEU A 370
 None
 0.84A 1ya4C-3ilwA:
undetectable		 1ya4C-3ilwA:
21.24
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.
1Z95_A_198A501_1
(ANDROGEN RECEPTOR)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 12 GLN A 277
ARG A  98
THR A 496
MET A 253
ILE A 234
 None
GOL  A 501 (-4.5A)
None
None
None
 1.49A 1z95A-3ilwA:
undetectable		 1z95A-3ilwA:
18.47
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.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 359
VAL A 223
PRO A 226
 None
 0.64A 2avvA-3ilwA:
undetectable		 2avvA-3ilwA:
11.39
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 281
ASN A 279
THR A 230
 None
 0.80A 2q63B-3ilwA:
undetectable		 2q63B-3ilwA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXT_A_SAMA397_0
(PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 425
ALA A 432
ILE A 430
GLU A 403
ALA A 400
 None
 1.12A 3axtA-3ilwA:
undetectable		 3axtA-3ilwA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		4 / 6 ARG A 494
PHE A 228
TYR A 276
PRO A 226
 None
 1.42A 3jqaC-3ilwA:
undetectable		 3jqaC-3ilwA:
19.37
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.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 342
ILE A 189
ASP A 242
ALA A 243
LEU A 358
 None
 0.72A 3uj7B-3ilwA:
undetectable		 3uj7B-3ilwA:
19.15
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		3 / 3 GLY A 112
GLU A 131
THR A 130
 GOL  A   1 (-3.6A)
None
None
 0.58A 4kouA-3ilwA:
undetectable		 4kouA-3ilwA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 12 ILE A 302
LEU A 274
PRO A 275
VAL A 278
ILE A 314
 None
 0.97A 4m2xG-3ilwA:
undetectable		 4m2xG-3ilwA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_B_AERB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		4 / 5 TYR A 156
ASP A  61
GLU A 162
VAL A 150
 None
None
GOL  A 502 (-3.7A)
None
 1.40A 4nkvB-3ilwA:
undetectable		 4nkvB-3ilwA:
23.67
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.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		4 / 6 ASP A 209
GLU A 212
VAL A 219
ALA A 218
 None
 0.97A 4nkxA-3ilwA:
undetectable		 4nkxA-3ilwA:
23.67
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.
5BW4_B_SAMB301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 179
ALA A 175
LEU A 346
LEU A 173
ALA A  40
 None
 0.92A 5bw4B-3ilwA:
undetectable		 5bw4B-3ilwA:
23.03
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.
5M67_C_ACTC504_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		4 / 4 ASP A 454
ILE A 451
ARG A 442
ARG A 387
 None
 1.09A 5m67C-3ilwA:
0.0		 5m67C-3ilwA:
23.14
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.
6BAA_E_GBME2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 174
THR A 187
ASN A 344
 None
 0.61A 6baaE-3ilwA:
undetectable		 6baaE-3ilwA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BAA_F_GBMF2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 174
THR A 187
ASN A 344
 None
 0.61A 6baaF-3ilwA:
undetectable		 6baaF-3ilwA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BAA_G_GBMG2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 174
THR A 187
ASN A 344
 None
 0.61A 6baaG-3ilwA:
undetectable		 6baaG-3ilwA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BAA_H_GBMH2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3ilw DNA GYRASE SUBUNIT A
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 174
THR A 187
ASN A 344
 None
 0.61A 6baaH-3ilwA:
undetectable		 6baaH-3ilwA:
15.73