SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qry'

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.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		3 / 3 TRP A 112
VAL A 118
PRO A 119
 None
 0.84A 1rg1A-2qryA:
undetectable		 1rg1A-2qryA:
25.50
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.
1RH0_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		3 / 3 TRP A 112
VAL A 118
PRO A 119
 None
 0.84A 1rh0A-2qryA:
undetectable		 1rh0A-2qryA:
25.50
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		4 / 5 ALA A  31
ALA A  56
TYR A  27
GLN A 243
 None
None
TPS  A 400 (-4.0A)
TPS  A 400 ( 4.7A)
 1.09A 1xl6A-2qryA:
undetectable
1xl6B-2qryA:
undetectable		 1xl6A-2qryA:
21.01
1xl6B-2qryA:
21.01
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.
3BRF_A_SORA2_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		3 / 3 LYS A 185
LYS A 142
VAL A 145
 None
 0.71A 3brfA-2qryA:
undetectable		 3brfA-2qryA:
20.85
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.
4C9W_A_VGHA1158_1
(7,8-DIHYDRO-8-OXOGUA
NINE TRIPHOSPHATASE)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		5 / 12 LEU A  54
PHE A 262
VAL A  24
PHE A 265
GLN A 272
 None
 1.38A 4c9wA-2qryA:
0.0		 4c9wA-2qryA:
17.99
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		5 / 12 VAL A 325
LEU A 169
ARG A 314
GLN A 313
ARG A 323
 None
 1.42A 5syfB-2qryA:
undetectable		 5syfB-2qryA:
22.94
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		4 / 6 LEU A  86
TYR A 215
ASP A 121
GLU A 245
 None
TPS  A 400 (-4.3A)
None
TPS  A 400 (-3.3A)
 1.45A 6djzC-2qryA:
undetectable		 6djzC-2qryA:
19.52
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.
6ECX_A_SAMA1301_1
(STIE PROTEIN)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		4 / 5 THR A 216
THR A 162
GLN A 243
ASP A  59
 None
TPS  A 400 (-3.9A)
TPS  A 400 ( 4.7A)
TPS  A 400 (-3.7A)
 1.40A 6ecxA-2qryA:
undetectable		 6ecxA-2qryA:
22.19
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.
6F6J_D_ACTD404_0
(L-LYSINE
3-HYDROXYLASE)		 2qry THIAMINE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		4 / 6 GLN A 322
GLU A 320
TRP A 183
ALA A 324
 None
 0.98A 6f6jC-2qryA:
undetectable
6f6jD-2qryA:
undetectable		 6f6jC-2qryA:
21.96
6f6jD-2qryA:
21.96