SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5u1w'

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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 12 ASP A 279
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.06A 1hxbB-5u1wA:
undetectable		 1hxbB-5u1wA:
16.12
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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 9 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.09A 1hxwA-5u1wA:
undetectable		 1hxwA-5u1wA:
15.23
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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		4 / 8 TRP A 258
SER A  59
ASN A 194
THR A 204
 None
 0.85A 1ig3A-5u1wA:
undetectable
1ig3B-5u1wA:
undetectable		 1ig3A-5u1wA:
23.16
1ig3B-5u1wA:
23.16
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.
1LQT_B_ACTB1873_0
(FPRA)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		3 / 3 ASP A 141
ASP A 121
LYS A 136
 None
 1.14A 1lqtB-5u1wA:
undetectable		 1lqtB-5u1wA:
20.64
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.
1LQU_B_ACTB1430_0
(FPRA)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		3 / 3 ASP A 141
ASP A 121
LYS A 136
 None
 1.13A 1lquB-5u1wA:
undetectable		 1lquB-5u1wA:
20.64
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 12 ALA A 246
LEU A 320
GLY A 249
TYR A 291
LEU A 278
 None
 1.04A 1qabF-5u1wA:
undetectable		 1qabF-5u1wA:
19.12
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 12 PHE A 102
ALA A 246
LEU A 320
GLY A 249
LEU A 278
 None
 1.23A 1qabF-5u1wA:
undetectable		 1qabF-5u1wA:
19.12
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.
2NNP_A_ROCA401_1
(PROTEASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		6 / 11 GLY A 117
ILE A 170
GLY A 146
ILE A 147
THR A 161
VAL A 153
 None
 1.22A 2nnpA-5u1wA:
undetectable		 2nnpA-5u1wA:
15.63
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.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 11 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.06A 2qhcA-5u1wA:
undetectable		 2qhcA-5u1wA:
14.90
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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 12 ILE A  58
ASN A 195
ASN A 207
THR A  63
ILE A 256
 None
 1.23A 2vn0A-5u1wA:
undetectable		 2vn0A-5u1wA:
21.07
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.
2Y7W_A_SALA1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 9 THR A 106
ILE A 315
GLY A 314
TYR A 291
ARG A 316
 None
 1.29A 2y7wA-5u1wA:
undetectable		 2y7wA-5u1wA:
18.16
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 12 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.02A 2z54A-5u1wA:
undetectable		 2z54A-5u1wA:
16.12
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.
3CL9_A_MTXA602_2
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		4 / 4 VAL A 104
ARG A 230
ILE A 254
THR A 106
 None
 1.28A 3cl9A-5u1wA:
undetectable		 3cl9A-5u1wA:
20.99
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.
3EKY_A_DR7A100_2
(PROTEASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 9 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.13A 3ekyB-5u1wA:
undetectable		 3ekyB-5u1wA:
15.89
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		4 / 8 GLY A 249
PHE A 229
PHE A 317
PHE A 102
 None
 0.85A 3ko0D-5u1wA:
undetectable
3ko0E-5u1wA:
undetectable		 3ko0D-5u1wA:
12.43
3ko0E-5u1wA:
12.43
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		4 / 8 PHE A 317
PHE A 102
GLY A 249
PHE A 229
 None
 0.84A 3ko0B-5u1wA:
undetectable
3ko0J-5u1wA:
undetectable		 3ko0B-5u1wA:
12.43
3ko0J-5u1wA:
12.43
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.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		4 / 7 GLY A 249
PHE A 229
PHE A 317
PHE A 102
 None
 0.79A 3ko0M-5u1wA:
undetectable
3ko0P-5u1wA:
undetectable		 3ko0M-5u1wA:
12.43
3ko0P-5u1wA:
12.43
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		4 / 7 PHE A 317
PHE A 102
GLY A 249
PHE A 229
 None
 0.84A 3ko0K-5u1wA:
undetectable
3ko0S-5u1wA:
undetectable		 3ko0K-5u1wA:
12.43
3ko0S-5u1wA:
12.43
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.
3NDW_A_RITA100_1
(PROTEASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 12 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.03A 3ndwA-5u1wA:
undetectable		 3ndwA-5u1wA:
15.13
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.
3NDW_A_RITA100_2
(PROTEASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 9 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.13A 3ndwB-5u1wA:
undetectable		 3ndwB-5u1wA:
15.13
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.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		4 / 5 ASP A 121
ARG A 307
ARG A 294
THR A 127
 None
 1.47A 4p3qA-5u1wA:
undetectable		 4p3qA-5u1wA:
18.40
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_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5u1w P2X PURINOCEPTOR
(Ailuropoda
melanoleuca) 		5 / 12 LEU A 278
PHE A 102
VAL A 104
VAL A 190
THR A 238
 None
 1.09A 6djzC-5u1wA:
undetectable		 6djzC-5u1wA:
21.74