SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wql'

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_2
(PROTEASE)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		5 / 12 ALA A  16
ASP A  17
ILE A   9
VAL A  61
ILE A  60
 None
 0.88A 1muiB-4wqlA:
undetectable		 1muiB-4wqlA:
21.39
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		5 / 10 ALA A  16
ASP A  17
ILE A   9
VAL A  61
ILE A  60
 None
 0.98A 2aquA-4wqlA:
undetectable		 2aquA-4wqlA:
21.39
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 8 GLY A  28
ALA A  30
THR A  48
ILE A 128
 IPA  A 204 (-3.3A)
None
None
GOL  A 213 (-4.0A)
 0.68A 2dtjA-4wqlA:
undetectable
2dtjB-4wqlA:
undetectable		 2dtjA-4wqlA:
21.43
2dtjB-4wqlA:
21.43
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.
2NV4_A_ACTA148_0
(UPF0066 PROTEIN
AF_0241)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		3 / 3 VAL A  61
GLU A  58
GLU A  62
 None
 0.77A 2nv4A-4wqlA:
undetectable		 2nv4A-4wqlA:
20.57
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_1
(PROTEASE)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		5 / 9 ALA A  16
ASP A  17
ILE A   9
VAL A  61
ILE A  60
 None
 0.95A 2q5kA-4wqlA:
undetectable		 2q5kA-4wqlA:
21.51
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.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 9 ILE A 129
ALA A 161
VAL A 164
GLU A 165
 None
 0.74A 2vufA-4wqlA:
undetectable		 2vufA-4wqlA:
15.22
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		5 / 9 LEU A  85
ILE A  80
GLY A  66
LEU A  47
GLU A  58
 None
 1.08A 3ai9X-4wqlA:
undetectable		 3ai9X-4wqlA:
21.92
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.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 7 ILE A  45
PHE A  76
PHE A  49
GLY A  27
 None
None
None
GOL  A 213 (-3.1A)
 1.10A 3em0B-4wqlA:
undetectable		 3em0B-4wqlA:
18.89
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 5 GLY A  28
ILE A   9
LYS A   3
GLN A   5
 IPA  A 204 (-3.3A)
None
None
None
 1.20A 4ma8C-4wqlA:
undetectable		 4ma8C-4wqlA:
18.58
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 6 ASN A  20
GLU A  56
GLU A  52
TYR A  97
 None
 1.20A 4twdG-4wqlA:
undetectable
4twdH-4wqlA:
undetectable		 4twdG-4wqlA:
20.93
4twdH-4wqlA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XJE_A_TOYA202_1
(AADB)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		8 / 8 ASP A  44
ASP A  46
TYR A  74
ASP A  86
GLU A  88
ILE A  99
ASP A 131
TYR A 134
 MG  A 202 (-2.5A)
MG  A 201 (-2.4A)
KAN  A 203 (-3.8A)
KAN  A 203 ( 3.2A)
KAN  A 203 ( 2.6A)
GOL  A 213 ( 4.3A)
KAN  A 203 ( 2.7A)
KAN  A 203 (-3.8A)
 0.48A 4xjeA-4wqlA:
31.9		 4xjeA-4wqlA:
95.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		8 / 8 ASP A  44
ASP A  46
TYR A  74
ASP A  86
GLU A  88
ILE A  99
ASP A 131
TYR A 134
 MG  A 202 (-2.5A)
MG  A 201 (-2.4A)
KAN  A 203 (-3.8A)
KAN  A 203 ( 3.2A)
KAN  A 203 ( 2.6A)
GOL  A 213 ( 4.3A)
KAN  A 203 ( 2.7A)
KAN  A 203 (-3.8A)
 0.17A 5cfsA-4wqlA:
33.1		 5cfsA-4wqlA:
95.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CFT_A_51GA204_1
(AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE (2')-IA)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		9 / 9 ASP A  44
ASP A  46
TYR A  74
LEU A  77
ASP A  86
GLU A  88
ILE A  99
ASP A 131
TYR A 134
 MG  A 202 (-2.5A)
MG  A 201 (-2.4A)
KAN  A 203 (-3.8A)
None
KAN  A 203 ( 3.2A)
KAN  A 203 ( 2.6A)
GOL  A 213 ( 4.3A)
KAN  A 203 ( 2.7A)
KAN  A 203 (-3.8A)
 0.27A 5cftA-4wqlA:
32.8		 5cftA-4wqlA:
95.68
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.
5Z84_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE
(Klebsiella
pneumoniae) 		4 / 5 PHE A 133
TYR A 152
ARG A 153
THR A 157
 IPA  A 206 (-4.8A)
IPA  A 206 (-4.0A)
None
None
 1.16A 5z84N-4wqlA:
undetectable
5z84W-4wqlA:
undetectable		 5z84N-4wqlA:
16.87
5z84W-4wqlA:
15.34