SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2gqs'

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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		3 / 3 PHE A 180
CYH A  91
PHE A 118
 None
 1.14A 3cr5X-2gqsA:
undetectable		 3cr5X-2gqsA:
16.94
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		4 / 8 LYS A 123
ARG A  94
ASP A  36
GLU A  90
 ADP  A 238 ( 2.7A)
C2R  A 242 (-3.1A)
MG  A 240 (-4.6A)
MG  A 240 ( 2.4A)
 1.23A 3dh0A-2gqsA:
undetectable		 3dh0A-2gqsA:
22.99
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		5 / 12 ASN A 147
LEU A 189
PHE A 180
GLY A 181
VAL A 187
 None
 0.96A 3nk7B-2gqsA:
undetectable		 3nk7B-2gqsA:
25.00
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		5 / 11 LEU A 154
ALA A 158
LEU A  61
MET A  58
GLY A 190
 None
None
None
None
ADP  A 238 ( 4.3A)
 1.24A 3uudA-2gqsA:
undetectable		 3uudA-2gqsA:
21.30
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		4 / 8 ARG A 199
ASP A 129
GLU A 179
ARG A 215
 C2R  A 242 (-3.1A)
MG  A 241 (-2.4A)
ADP  A 238 ( 3.7A)
C2R  A 242 (-3.1A)
 1.32A 4kr4C-2gqsA:
undetectable		 4kr4C-2gqsA:
21.71
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.
5A06_A_SORA1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		4 / 5 GLU A 192
LYS A  13
ASP A 191
GLU A 179
 None
ADP  A 238 (-2.6A)
MG  A 239 (-3.9A)
ADP  A 238 ( 3.7A)
 1.30A 5a06A-2gqsA:
undetectable		 5a06A-2gqsA:
21.84
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		5 / 10 LEU A 154
ALA A 158
LEU A  61
MET A  58
GLY A 190
 None
None
None
None
ADP  A 238 ( 4.3A)
 1.23A 5dxbA-2gqsA:
undetectable		 5dxbA-2gqsA:
21.13
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.
5IQD_C_RIOC600_0
(BIFUNCTIONAL AAC/APH)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		5 / 12 SER A 194
ASN A  50
GLU A 192
VAL A  92
GLU A  90
 None
None
None
C2R  A 242 ( 4.5A)
MG  A 240 ( 2.4A)
 1.36A 5iqdC-2gqsA:
2.4		 5iqdC-2gqsA:
22.74
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.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Escherichia
coli) 		4 / 6 LEU A  84
TYR A   8
THR A  14
LEU A  26
 ADP  A 238 (-3.8A)
ADP  A 238 (-4.9A)
None
None
 1.04A 5x1fA-2gqsA:
undetectable
5x1fJ-2gqsA:
undetectable		 5x1fA-2gqsA:
16.99
5x1fJ-2gqsA:
11.81