SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wkw'

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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		5 / 12 PRO A 231
GLY A  70
GLY A 209
PHE A 134
MET A 172
 None
W22  A 577 ( 4.0A)
None
None
None
 1.00A 1wg8A-2wkwA:
3.4		 1wg8A-2wkwA:
23.43
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.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		5 / 12 PRO A 231
GLY A  70
GLY A 209
PHE A 134
MET A 172
 None
W22  A 577 ( 4.0A)
None
None
None
 0.88A 1wg8B-2wkwA:
2.3		 1wg8B-2wkwA:
23.43
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		4 / 5 LEU A 203
LEU A  67
LEU A  93
MET A  86
 None
 1.13A 2oaxF-2wkwA:
undetectable		 2oaxF-2wkwA:
22.83
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		3 / 3 ASP A 303
THR A   8
PRO A   9
 None
 0.65A 2pynB-2wkwA:
undetectable		 2pynB-2wkwA:
17.16
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		3 / 3 ASP A 303
THR A   8
PRO A   9
 None
 0.65A 2qakB-2wkwA:
undetectable		 2qakB-2wkwA:
15.33
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		3 / 3 HIS A 298
HIS A 205
MET A 299
 W22  A 577 (-4.4A)
None
None
 1.00A 3mihA-2wkwA:
undetectable		 3mihA-2wkwA:
21.61
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.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		3 / 3 PRO A 212
LEU A 190
GLN A 104
 None
 0.69A 4pevB-2wkwA:
3.6		 4pevB-2wkwA:
22.62
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.
5FXT_A_0LAA1376_1
(DNA POLYMERASE III
SUBUNIT BETA)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		4 / 7 LYS A 196
LEU A 197
THR A 200
LEU A 203
 None
 1.06A 5fxtA-2wkwA:
undetectable		 5fxtA-2wkwA:
19.80
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.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		4 / 8 ASN A 189
PHE A  21
HIS A  69
THR A  46
 None
 1.29A 5hqaA-2wkwA:
undetectable		 5hqaA-2wkwA:
18.15
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		4 / 7 PHE A 252
GLY A 232
GLY A 209
HIS A 205
 None
W22  A 577 ( 4.4A)
None
None
 0.94A 5n9xA-2wkwA:
3.6		 5n9xA-2wkwA:
19.67
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.
5W4Z_B_RBFB502_2
(RIBOFLAVIN LYASE)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		4 / 4 ASN A 296
GLN A 159
ASP A 303
THR A  77
 None
 1.36A 5w4zB-2wkwA:
0.7		 5w4zB-2wkwA:
11.95
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.
6DH3_A_017A101_0
(PROTEASE)		 2wkw CARBOXYLESTERASE
(Alcaligenes
sp.) 		5 / 12 LEU A 202
GLY A 209
VAL A 248
ILE A 223
ILE A 226
 None
 0.82A 6dh3A-2wkwA:
undetectable		 6dh3A-2wkwA:
14.13