SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wec'

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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 THR A 120
ALA A 118
ILE A 208
LEU A 362
LEU A 165
 None
None
None
HEM  A 501 ( 4.4A)
None
 1.36A 1eiiA-3wecA:
undetectable		 1eiiA-3wecA:
13.60
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 7 SER A  42
SER A  71
PHE A  74
ALA A 323
 None
 0.99A 1fxvA-3wecA:
undetectable
1fxvB-3wecA:
undetectable		 1fxvA-3wecA:
19.05
1fxvB-3wecA:
21.38
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 8 SER A  42
SER A  71
PHE A  74
ALA A 323
 None
 1.05A 1gm7A-3wecA:
undetectable
1gm7B-3wecA:
undetectable		 1gm7A-3wecA:
19.05
1gm7B-3wecA:
21.38
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.
1GTB_A_PZQA901_0
(GLUTATHIONE
S-TRANSFERASE)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 GLN A 372
TYR A 354
ARG A 356
 None
HEM  A 501 (-4.4A)
None
 0.88A 1gtbA-3wecA:
undetectable		 1gtbA-3wecA:
20.00
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 LEU A 399
ALA A 300
LEU A 186
ASN A 260
LEU A 371
 AUI  A 502 (-4.4A)
AUI  A 502 ( 3.7A)
None
None
None
 1.25A 1og5A-3wecA:
28.5		 1og5A-3wecA:
23.63
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 7 HIS A 301
TYR A  30
ASN A  16
LEU A  33
 None
 1.07A 1qzrA-3wecA:
0.5		 1qzrA-3wecA:
20.04
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.
1U1J_A_C2FA773_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 8 ASN A 180
SER A 176
ARG A 172
VAL A 158
 None
 0.99A 1u1jA-3wecA:
undetectable		 1u1jA-3wecA:
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.
2AVD_B_SAMB601_1
(CATECHOL-O-METHYLTRA
NSFERASE)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 SER A 179
GLU A 159
ASP A 169
 None
 0.83A 2avdB-3wecA:
undetectable		 2avdB-3wecA:
21.79
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.
2YGO_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 6 LEU A 327
ILE A  48
PRO A  17
VAL A 252
 None
 1.15A 2ygoA-3wecA:
undetectable		 2ygoA-3wecA:
19.00
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.
3DEU_B_SALB306_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 6 ILE A 167
SER A 162
LEU A 165
THR A 251
 None
 0.92A 3deuB-3wecA:
undetectable		 3deuB-3wecA:
18.20
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.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 ALA A 253
THR A 257
CYH A 361
 HEM  A 501 ( 3.5A)
HEM  A 501 (-3.5A)
HEM  A 501 (-2.3A)
 0.48A 3e4eA-3wecA:
28.7		 3e4eA-3wecA:
22.33
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 ALA A 253
THR A 257
CYH A 361
 HEM  A 501 ( 3.5A)
HEM  A 501 (-3.5A)
HEM  A 501 (-2.3A)
 0.43A 3e4eB-3wecA:
28.7		 3e4eB-3wecA:
22.33
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.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 10 GLY A 401
VAL A 152
ILE A 391
ASN A 264
GLY A 263
 None
 1.21A 3km6A-3wecA:
undetectable		 3km6A-3wecA:
20.09
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.
4FP9_D_SAMD401_1
(METHYLTRANSFERASE
NSUN4)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 ASP A 241
ARG A 212
ASP A  94
 None
 0.80A 4fp9D-3wecA:
undetectable		 4fp9D-3wecA:
22.52
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.
4FZV_A_SAMA401_1
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 ASP A 241
ARG A 212
ASP A  94
 None
 0.82A 4fzvA-3wecA:
undetectable		 4fzvA-3wecA:
22.35
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.
4MM8_A_RFXA603_1
(TRANSPORTER)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 ASP A  67
ALA A 323
GLY A  90
GLY A 304
ASP A  75
 None
None
None
AUI  A 502 (-3.5A)
None
 1.15A 4mm8A-3wecA:
undetectable		 4mm8A-3wecA:
23.29
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.
4MM9_A_FVXA603_1
(TRANSPORTER)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 11 ASP A  67
ALA A 323
GLY A  90
GLY A 304
ASP A  75
 None
None
None
AUI  A 502 (-3.5A)
None
 1.08A 4mm9A-3wecA:
undetectable		 4mm9A-3wecA:
23.29
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.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 TYR A 354
SER A 351
THR A 258
THR A 257
ALA A 300
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.5A)
AUI  A 502 ( 3.7A)
 1.22A 4u15A-3wecA:
undetectable		 4u15A-3wecA:
23.24
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 TYR A 354
SER A 351
THR A 258
THR A 257
ALA A 300
 HEM  A 501 (-4.4A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.5A)
AUI  A 502 ( 3.7A)
 1.28A 4u15B-3wecA:
undetectable		 4u15B-3wecA:
23.24
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.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 4 CYH A 247
LEU A 228
LEU A 224
ALA A 118
 None
 1.09A 5hpuA-3wecA:
undetectable
5hpuB-3wecA:
undetectable		 5hpuA-3wecA:
5.18
5hpuB-3wecA:
5.20
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 ALA A 153
GLY A 401
THR A 257
LEU A 142
LEU A 266
 None
None
HEM  A 501 (-3.5A)
None
None
 1.16A 5nfjB-3wecA:
undetectable		 5nfjB-3wecA:
21.56
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.
5NFJ_C_SAMC501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 ALA A 153
GLY A 401
THR A 257
LEU A 142
LEU A 266
 None
None
HEM  A 501 (-3.5A)
None
None
 1.17A 5nfjC-3wecA:
undetectable		 5nfjC-3wecA:
21.56
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 ASP A 322
ALA A 316
SER A 314
PRO A  38
LEU A  37
 None
 1.38A 5syfB-3wecA:
undetectable		 5syfB-3wecA:
21.38
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 7 THR A 103
PHE A 100
ARG A  98
ASP A  96
 None
 1.02A 5uxcA-3wecA:
undetectable		 5uxcA-3wecA:
24.88
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.
5W3J_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		4 / 8 ASP A 147
HIS A 141
GLY A 263
LEU A 266
 None
 0.93A 5w3jB-3wecA:
undetectable		 5w3jB-3wecA:
21.05
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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 ASP A 241
ARG A 212
ASP A  94
 None
 0.79A 5zvgA-3wecA:
undetectable		 5zvgA-3wecA:
19.96
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.
5ZVG_B_SAMB401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		3 / 3 ASP A 241
ARG A 212
ASP A  94
 None
 0.79A 5zvgB-3wecA:
undetectable		 5zvgB-3wecA:
19.96
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 ILE A 286
PHE A 269
VAL A 344
LEU A 132
ALA A 135
 None
 1.22A 6djzA-3wecA:
undetectable		 6djzA-3wecA:
21.80
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.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3wec CYTOCHROME P450
(Rhodococcus
erythropolis) 		5 / 12 ALA A  69
PHE A 100
ILE A 204
LEU A 248
ILE A  93
 None
 1.06A 7dfrA-3wecA:
undetectable		 7dfrA-3wecA:
18.23