SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wjr'

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.
2ZSE_A_PAUA600_0
(PANTOTHENATE KINASE)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 7 TYR A 187
ARG A 208
PHE A 171
ASN A 205
 None
 1.23A 2zseA-2wjrA:
undetectable		 2zseA-2wjrA:
19.68
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.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 4 GLY A 103
TYR A 133
GLY A 132
ASP A 131
 OCT  A1219 (-4.5A)
None
OCT  A1219 ( 4.0A)
None
 1.25A 3kl3A-2wjrA:
undetectable		 3kl3A-2wjrA:
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.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 8 ASP A 188
TYR A 133
GLN A 174
GLU A 186
 None
 1.11A 3oyaA-2wjrA:
undetectable		 3oyaA-2wjrA:
20.63
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 8 ASP A 188
TYR A 133
GLN A 174
GLU A 186
 None
 1.03A 3s3mA-2wjrA:
undetectable		 3s3mA-2wjrA:
20.63
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 7 ASP A 188
TYR A 133
GLN A 174
GLU A 186
 None
 1.04A 3s3oA-2wjrA:
undetectable		 3s3oA-2wjrA:
20.63
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 7 TYR A 133
GLN A 174
GLU A 186
ARG A 105
 None
 1.18A 3s3oA-2wjrA:
undetectable		 3s3oA-2wjrA:
20.63
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 5 SER A  93
ARG A  72
PRO A  73
VAL A  90
 EPE  A1217 ( 4.7A)
EPE  A1217 (-3.7A)
None
None
 1.31A 3sufC-2wjrA:
undetectable		 3sufC-2wjrA:
22.61
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_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		3 / 3 LYS A  91
TYR A  89
ARG A 105
 EPE  A1217 (-2.7A)
None
None
 1.01A 4gc9A-2wjrA:
undetectable		 4gc9A-2wjrA:
18.37
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 8 ASP A  54
GLU A  35
ASP A 188
GLU A 168
 None
None
None
EPE  A1216 ( 4.6A)
 1.10A 4gkhC-2wjrA:
undetectable
4gkhK-2wjrA:
undetectable		 4gkhC-2wjrA:
20.22
4gkhK-2wjrA:
20.22
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 8 ASP A  54
GLU A  35
ASP A 188
GLU A 168
 None
None
None
EPE  A1216 ( 4.6A)
 1.07A 4gkiE-2wjrA:
undetectable
4gkiG-2wjrA:
undetectable		 4gkiE-2wjrA:
20.22
4gkiG-2wjrA:
20.22
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 2wjr PROBABLE
N-ACETYLNEURAMINIC
ACID OUTER MEMBRANE
CHANNEL PROTEIN NANC
(Escherichia
coli) 		4 / 5 GLY A  87
ARG A 107
GLY A  74
GLU A  58
 None
None
None
EPE  A1217 ( 4.9A)
 1.04A 4z2eB-2wjrA:
undetectable
4z2eC-2wjrA:
undetectable		 4z2eB-2wjrA:
18.35
4z2eC-2wjrA:
20.94