SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xqi'

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.
2Q5K_A_AB1A201_2
(PROTEASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		6 / 12 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.43A 2q5kB-1xqiA:
undetectable		 2q5kB-1xqiA:
22.34
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.
3EL1_A_DR7A100_2
(PROTEASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		6 / 12 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.36A 3el1B-1xqiA:
undetectable		 3el1B-1xqiA:
22.63
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.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		6 / 11 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.29A 3lzvB-1xqiA:
undetectable		 3lzvB-1xqiA:
22.87
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		4 / 6 HIS A 172
GLU A 183
ASP A 175
PRO A  64
 PGE  A 500 ( 3.7A)
PGE  A 500 (-3.7A)
PGE  A 500 (-2.9A)
PGE  A 500 (-4.4A)
 1.12A 4apjA-1xqiA:
undetectable
4apjP-1xqiA:
undetectable		 4apjA-1xqiA:
16.98
4apjP-1xqiA:
7.69
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		6 / 12 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.25A 4dqbA-1xqiA:
undetectable		 4dqbA-1xqiA:
23.12
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.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		6 / 12 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.36A 4dqfA-1xqiA:
undetectable		 4dqfA-1xqiA:
22.58
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.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		5 / 12 LEU A  20
LEU A  19
ILE A  35
ILE A  36
LEU A  44
 None
 1.10A 4j24A-1xqiA:
undetectable		 4j24A-1xqiA:
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.
4J24_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		5 / 12 LEU A  20
LEU A  19
ILE A  35
ILE A  36
LEU A  44
 None
 1.12A 4j24B-1xqiA:
undetectable		 4j24B-1xqiA:
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		4 / 8 PRO A 140
ALA A  26
SER A 153
ASP A 155
 None
 1.06A 4k0bB-1xqiA:
undetectable		 4k0bB-1xqiA:
20.10
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.
4MK4_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		3 / 3 LEU A  31
ILE A  35
ARG A  38
 None
 0.64A 4mk4B-1xqiA:
undetectable		 4mk4B-1xqiA:
20.38
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.
6DH3_A_017A101_1
(PROTEASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		6 / 12 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.35A 6dh3B-1xqiA:
undetectable		 6dh3B-1xqiA:
23.91
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.
6DJ1_B_AB1B201_1
(HIV-1 PROTEASE)		 1xqi NUCLEOSIDE
DIPHOSPHATE KINASE
(Pyrobaculum
aerophilum) 		6 / 12 ARG A 165
ASP A  25
ALA A  26
VAL A 171
ILE A 148
ILE A 154
 None
 1.47A 6dj1B-1xqiA:
undetectable		 6dj1B-1xqiA:
23.91