SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wqe'

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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 HIS A 164
ILE A 205
LEU A 143
LEU A 155
GLY A 152
 HEC  A1002 (-3.2A)
HEC  A1002 (-4.0A)
None
None
None
 1.04A 1axwA-4wqeA:
undetectable		 1axwA-4wqeA:
22.04
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 HIS A 164
ILE A 205
LEU A 143
LEU A 155
GLY A 152
 HEC  A1002 (-3.2A)
HEC  A1002 (-4.0A)
None
None
None
 1.07A 1tlsA-4wqeA:
undetectable		 1tlsA-4wqeA:
21.03
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 HIS A 164
ILE A 205
LEU A 143
LEU A 155
GLY A 152
 HEC  A1002 (-3.2A)
HEC  A1002 (-4.0A)
None
None
None
 1.05A 1tlsB-4wqeA:
undetectable		 1tlsB-4wqeA:
21.03
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 HIS A 164
ILE A 205
LEU A 143
LEU A 155
GLY A 152
 HEC  A1002 (-3.2A)
HEC  A1002 (-4.0A)
None
None
None
 1.01A 1tsnA-4wqeA:
undetectable		 1tsnA-4wqeA:
21.03
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.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 SER A 100
ALA A 193
PRO A 182
GLY A  46
GLY A  44
 SO3  A1006 ( 2.6A)
SO3  A1006 (-4.2A)
HEC  A1002 (-4.6A)
None
None
 1.14A 2igtA-4wqeA:
undetectable		 2igtA-4wqeA:
21.65
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.
2WLJ_A_SPMA1303_1
(POTASSIUM CHANNEL)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		3 / 3 ARG A 177
ARG A  50
PRO A  36
 None
 1.11A 2wljA-4wqeA:
undetectable		 2wljA-4wqeA:
21.58
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 ALA A 131
GLY A  71
VAL A  73
GLY A  74
VAL A   6
 None
 1.18A 3f8wA-4wqeA:
undetectable		 3f8wA-4wqeA:
21.69
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		4 / 4 GLY A 165
ASP A 167
GLY A 185
THR A 231
 None
None
IOD  A1004 ( 4.5A)
None
 1.04A 3k4vC-4wqeA:
undetectable		 3k4vC-4wqeA:
17.74
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 ALA A 174
ASP A  34
ARG A 177
ASP A 173
HIS A  51
 None
None
None
None
HEC  A1002 (-4.9A)
 1.47A 3w37A-4wqeA:
undetectable		 3w37A-4wqeA:
15.16
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 ALA A 174
ASP A  34
ARG A 177
ASP A 173
HIS A  51
 None
None
None
None
HEC  A1002 (-4.9A)
 1.47A 3welA-4wqeA:
undetectable		 3welA-4wqeA:
15.16
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 ALA A 174
ASP A  34
ARG A 177
ASP A 173
HIS A  51
 None
None
None
None
HEC  A1002 (-4.9A)
 1.45A 3wemA-4wqeA:
undetectable		 3wemA-4wqeA:
15.16
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 ALA A 174
ASP A  34
ARG A 177
ASP A 173
HIS A  51
 None
None
None
None
HEC  A1002 (-4.9A)
 1.47A 3wenA-4wqeA:
undetectable		 3wenA-4wqeA:
15.16
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 ALA A 174
ASP A  34
ARG A 177
ASP A 173
HIS A  51
 None
None
None
None
HEC  A1002 (-4.9A)
 1.46A 3weoA-4wqeA:
undetectable		 3weoA-4wqeA:
15.16
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.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 LEU A  47
ASP A 167
GLY A 170
HIS A  51
GLY A 185
 HEC  A1001 (-4.2A)
None
None
HEC  A1002 (-4.9A)
IOD  A1004 ( 4.5A)
 1.08A 4blvA-4wqeA:
undetectable		 4blvA-4wqeA:
24.26
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.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		4 / 8 MET A 209
GLU A 221
LEU A 155
HIS A 164
 HEC  A1002 (-2.2A)
None
None
HEC  A1002 (-3.2A)
 0.95A 5dxeA-4wqeA:
undetectable		 5dxeA-4wqeA:
21.18
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.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		4 / 8 MET A 209
GLU A 221
LEU A 155
HIS A 164
 HEC  A1002 (-2.2A)
None
None
HEC  A1002 (-3.2A)
 0.91A 6cbzA-4wqeA:
undetectable		 6cbzA-4wqeA:
16.13
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.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		3 / 3 TYR A  31
ASP A  34
GLN A  38
 None
 0.83A 6g1pA-4wqeA:
undetectable		 6g1pA-4wqeA:
25.42