SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xi3'

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.
1MUI_B_AB1B100_1
(PROTEASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 10 GLY A 127
ALA A 126
VAL A 150
GLY A 178
ILE A 179
 None
 0.93A 1muiA-1xi3A:
undetectable		 1muiA-1xi3A:
18.98
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.
1N49_B_RITB301_2
(PROTEASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 11 GLY A 127
ALA A 126
VAL A 150
GLY A 178
ILE A 179
 None
 0.85A 1n49B-1xi3A:
undetectable		 1n49B-1xi3A:
18.60
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.
1N49_D_RITD401_1
(PROTEASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 11 GLY A 127
ALA A 126
VAL A 150
GLY A 178
ILE A 179
 None
 0.86A 1n49C-1xi3A:
undetectable		 1n49C-1xi3A:
18.60
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.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 12 VAL A 150
VAL A 129
GLY A 127
ALA A 126
LEU A 124
 None
 1.01A 3hs6A-1xi3A:
undetectable		 3hs6A-1xi3A:
17.29
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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		4 / 7 LEU A 114
VAL A  82
ILE A  91
ARG A  38
 None
 1.32A 3ik3A-1xi3A:
undetectable		 3ik3A-1xi3A:
22.26
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.
3IK3_B_0LIB2_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		4 / 7 LEU A 114
VAL A  82
ILE A  91
ARG A  38
 None
 1.33A 3ik3B-1xi3A:
undetectable		 3ik3B-1xi3A:
22.26
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.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 9 LEU A 114
VAL A  82
ILE A  91
ARG A  38
VAL A 158
 None
 1.35A 3oxzA-1xi3A:
undetectable		 3oxzA-1xi3A:
22.26
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.
3S43_A_478A401_2
(PROTEASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 10 LEU A   9
ALA A 168
VAL A 129
GLY A 162
ILE A 179
 None
None
None
SO4  A 301 (-3.3A)
None
 1.03A 3s43B-1xi3A:
undetectable		 3s43B-1xi3A:
19.53
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 12 LEU A  84
ILE A  91
VAL A 153
LEU A 124
VAL A 157
 None
 1.04A 4gc9A-1xi3A:
undetectable		 4gc9A-1xi3A:
23.99
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		4 / 5 GLU A 112
SER A 106
ARG A 139
PRO A  86
 None
 1.47A 4k17B-1xi3A:
undetectable		 4k17B-1xi3A:
15.72
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 12 LEU A   7
ILE A 155
GLY A 125
ALA A 126
VAL A 153
 None
 0.95A 4nkxB-1xi3A:
undetectable		 4nkxB-1xi3A:
19.83
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		4 / 5 GLY A  81
ASP A  80
ARG A  55
MET A 186
 None
 1.06A 5gwkA-1xi3A:
undetectable		 5gwkA-1xi3A:
14.63
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.
5L94_A_TESA502_1
(CYTOCHROME P450)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 8 VAL A 171
ILE A 163
ALA A 180
VAL A 157
VAL A 176
 None
 1.21A 5l94A-1xi3A:
undetectable		 5l94A-1xi3A:
22.49
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		3 / 3 LEU A 146
VAL A 157
ASP A 177
 None
 0.64A 5x23A-1xi3A:
undetectable		 5x23A-1xi3A:
17.02
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		5 / 11 ALA A 194
ASP A  14
VAL A 158
ILE A 160
GLN A  36
 None
 1.34A 5y80A-1xi3A:
undetectable		 5y80A-1xi3A:
16.91
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.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		4 / 6 GLY A 104
GLN A  36
TYR A  10
TYR A 123
 None
 1.14A 6ag0A-1xi3A:
9.1		 6ag0A-1xi3A:
20.62
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.
6AG0_C_ACRC606_0
(ALPHA-AMYLASE)		 1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE
(Pyrococcus
furiosus) 		4 / 6 GLY A 104
GLN A  36
TYR A  10
TYR A 123
 None
 1.13A 6ag0C-1xi3A:
9.2		 6ag0C-1xi3A:
20.62