SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mwe'

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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		6 / 12 LEU A 195
GLY A  11
VAL A 214
LEU A 200
LEU A 217
ILE A  19
 None
 1.42A 1mx1D-3mweA:
undetectable		 1mx1D-3mweA:
23.23
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.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 9 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.99A 1ohrB-3mweA:
undetectable		 1ohrB-3mweA:
12.83
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 7 TYR A 307
LEU A 338
MET A 391
ILE A 361
 None
 1.21A 1tuvA-3mweA:
undetectable		 1tuvA-3mweA:
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.
2IDW_B_017B401_1
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 11 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.85A 2idwA-3mweA:
undetectable		 2idwA-3mweA:
12.06
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.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 ILE A 414
LEU A 388
MET A 391
PHE A 354
ALA A 280
 None
None
None
None
TLA  A 427 ( 4.2A)
 0.83A 2jj8C-3mweA:
undetectable		 2jj8C-3mweA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 6 TYR A 307
THR A 348
ALA A 345
PRO A 311
 None
TLA  A 427 (-3.7A)
TLA  A 427 (-3.6A)
None
 1.22A 2ql8A-3mweA:
undetectable
2ql8B-3mweA:
undetectable		 2ql8A-3mweA:
16.71
2ql8B-3mweA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 LEU A 301
GLY A 296
ILE A 337
GLY A 416
ILE A 275
 None
 0.86A 2rkfA-3mweA:
undetectable		 2rkfA-3mweA:
13.00
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.
2RKF_A_AB1A501_2
(PROTEASE RETROPEPSIN)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 LEU A 301
GLY A 296
ILE A 337
GLY A 416
ILE A 275
 None
 0.84A 2rkfB-3mweA:
undetectable		 2rkfB-3mweA:
13.00
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.
2RKG_B_AB1B501_1
(PROTEASE RETROPEPSIN)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 LEU A 301
GLY A 296
ILE A 337
GLY A 416
ILE A 275
 None
 0.87A 2rkgA-3mweA:
undetectable		 2rkgA-3mweA:
13.24
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.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 5 TYR A 319
MET A 278
THR A 277
LEU A 338
 None
 1.43A 3ag1J-3mweA:
undetectable		 3ag1J-3mweA:
10.35
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.
3DEU_A_SALA305_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 7 THR A 412
ILE A 339
SER A 289
THR A 291
 None
 0.88A 3deuA-3mweA:
undetectable		 3deuA-3mweA:
16.67
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.
3EKQ_A_ROCA100_2
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 9 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 1.12A 3ekqB-3mweA:
undetectable		 3ekqB-3mweA:
11.89
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.
3EL0_A_1UNA201_2
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 9 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.90A 3el0B-3mweA:
undetectable		 3el0B-3mweA:
14.70
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.
3EM3_B_478B200_2
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 10 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.97A 3em3B-3mweA:
undetectable		 3em3B-3mweA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 VAL A 415
GLY A 341
ILE A 357
ILE A 323
LEU A 338
 None
 1.05A 3mb5A-3mweA:
undetectable		 3mb5A-3mweA:
21.94
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 1.09A 3mwsB-3mweA:
undetectable		 3mwsB-3mweA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 9 LEU A 301
GLY A 296
ILE A 337
GLY A 416
ILE A 275
 None
 0.90A 3nu4B-3mweA:
undetectable		 3nu4B-3mweA:
12.53
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.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 10 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.91A 3oxwB-3mweA:
undetectable		 3oxwB-3mweA:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 ARG A 378
ILE A 414
PHE A 354
ALA A 284
ALA A 345
 None
None
None
None
TLA  A 427 (-3.6A)
 1.36A 3ua1A-3mweA:
undetectable		 3ua1A-3mweA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.88A 4dqbA-3mweA:
undetectable		 4dqbA-3mweA:
12.83
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.
4NJT_B_017B101_1
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 11 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.98A 4njtA-3mweA:
undetectable		 4njtA-3mweA:
12.94
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.
4NJT_D_017D101_1
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 11 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.95A 4njtC-3mweA:
undetectable		 4njtC-3mweA:
12.94
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.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 6 VAL A  34
ALA A  32
LEU A  55
LEU A  78
 None
 0.77A 4o0uA-3mweA:
undetectable		 4o0uA-3mweA:
21.43
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.
4RVJ_B_478B101_1
(HIV-1 PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 11 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.95A 4rvjA-3mweA:
undetectable		 4rvjA-3mweA:
12.94
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.
4RVJ_D_478D101_1
(HIV-1 PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 11 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.96A 4rvjC-3mweA:
undetectable		 4rvjC-3mweA:
12.94
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 9 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 1.11A 5kqxB-3mweA:
undetectable		 5kqxB-3mweA:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_H_SAMH501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 10 LEU A 368
GLY A 335
LEU A 324
LEU A 338
THR A 374
 None
 1.04A 5o96G-3mweA:
3.3
5o96H-3mweA:
3.6		 5o96G-3mweA:
19.53
5o96H-3mweA:
19.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TDM_A_ADNA904_1
(ATP-CITRATE SYNTHASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 4 THR A  38
ASP A  39
ARG A  42
LEU A  43
 None
 0.72A 5tdmA-3mweA:
52.4		 5tdmA-3mweA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 6 THR A  38
ASP A  39
ARG A  42
LEU A  43
ASP A  46
 None
 0.57A 5tdzA-3mweA:
51.5		 5tdzA-3mweA:
100.00
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.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 5 TYR A 319
MET A 278
THR A 277
LEU A 338
 None
 1.43A 5wauJ-3mweA:
undetectable		 5wauJ-3mweA:
10.35
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 5 TYR A 319
MET A 278
THR A 277
LEU A 338
 None
 1.40A 5x19J-3mweA:
undetectable		 5x19J-3mweA:
10.35
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 5 TYR A 319
MET A 278
THR A 277
LEU A 338
 None
 1.39A 5x1bJ-3mweA:
undetectable		 5x1bJ-3mweA:
10.35
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.
5X1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 5 TYR A 319
MET A 278
THR A 277
LEU A 338
 None
 1.40A 5x1bW-3mweA:
undetectable		 5x1bW-3mweA:
10.35
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.
5YSI_A_NCAA1001_0
(UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 6 ARG A 379
GLY A 381
SER A 343
THR A 407
 TLA  A 427 (-2.9A)
None
TLA  A 427 ( 4.2A)
None
 1.21A 5ysiA-3mweA:
undetectable		 5ysiA-3mweA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		3 / 3 ASN A 203
VAL A 111
HIS A 113
 None
 0.84A 6a5yD-3mweA:
undetectable		 6a5yD-3mweA:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH3_A_017A101_1
(PROTEASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
 None
 0.99A 6dh3B-3mweA:
undetectable		 6dh3B-3mweA:
11.56
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		5 / 12 ILE A 357
LEU A 388
GLY A 341
ILE A 323
LEU A 338
 None
 1.13A 6dwnC-3mweA:
undetectable		 6dwnC-3mweA:
11.66
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		3 / 3 ARG A 359
LYS A 321
TYR A 364
 None
 1.18A 6gnaA-3mweA:
undetectable		 6gnaA-3mweA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		3 / 3 ARG A 359
LYS A 321
TYR A 364
 None
 1.18A 6gnbA-3mweA:
undetectable		 6gnbA-3mweA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens) 		4 / 5 TYR A 319
MET A 278
THR A 277
LEU A 338
 None
 1.44A 6nknJ-3mweA:
undetectable		 6nknJ-3mweA:
10.35