SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '22J'


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.
1HK3_A_T44A3003_1
(SERUM ALBUMIN)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		3 / 4 LYS A 201
ALA A 200
MET A 150
 None
None
22J  A 301 ( 3.8A)
 1.06A 1hk3A-4lxiA:
undetectable		 1hk3A-4lxiA:
19.21
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 12 THR A 109
GLY A 107
GLY A  33
GLY A  34
VAL A  31
 None
None
22J  A 301 (-3.4A)
22J  A 301 (-3.7A)
None
 0.88A 1n2xB-4lxiA:
3.2		 1n2xB-4lxiA:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UKB_A_BEZA1300_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 11 GLY A  33
ALA A 105
ALA A 131
LEU A 205
HIS A 255
 22J  A 301 (-3.4A)
22J  A 301 (-2.8A)
22J  A 301 ( 4.7A)
None
22J  A 301 ( 4.5A)
 0.75A 1ukbA-4lxiA:
37.9		 1ukbA-4lxiA:
34.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UKB_A_BEZA1300_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 11 GLY A  33
ALA A 105
ALA A 131
VAL A 230
HIS A 255
 22J  A 301 (-3.4A)
22J  A 301 (-2.8A)
22J  A 301 ( 4.7A)
None
22J  A 301 ( 4.5A)
 0.81A 1ukbA-4lxiA:
37.9		 1ukbA-4lxiA:
34.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UKB_A_BEZA1300_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 11 GLY A  34
ALA A 105
ALA A 131
LEU A 205
HIS A 255
 22J  A 301 (-3.7A)
22J  A 301 (-2.8A)
22J  A 301 ( 4.7A)
None
22J  A 301 ( 4.5A)
 1.04A 1ukbA-4lxiA:
37.9		 1ukbA-4lxiA:
34.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UKB_A_BEZA1300_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 11 GLY A  34
ALA A 105
ALA A 131
VAL A 230
HIS A 255
 22J  A 301 (-3.7A)
22J  A 301 (-2.8A)
22J  A 301 ( 4.7A)
None
22J  A 301 ( 4.5A)
 1.09A 1ukbA-4lxiA:
37.9		 1ukbA-4lxiA:
34.36
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 12 HIS A 255
ASP A 227
ILE A 102
GLY A  33
ALA A 105
 22J  A 301 ( 4.5A)
None
None
22J  A 301 (-3.4A)
22J  A 301 (-2.8A)
 1.11A 3sudB-4lxiA:
undetectable		 3sudB-4lxiA:
21.58
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 12 HIS A 255
ASP A 227
ILE A 102
GLY A 107
ALA A 105
 22J  A 301 ( 4.5A)
None
None
None
22J  A 301 (-2.8A)
 0.91A 3sudB-4lxiA:
undetectable		 3sudB-4lxiA:
21.58
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.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		5 / 12 HIS A 255
ASP A 227
ILE A 102
GLY A  33
ALA A 105
 22J  A 301 ( 4.5A)
None
None
22J  A 301 (-3.4A)
22J  A 301 (-2.8A)
 0.98A 3sudC-4lxiA:
undetectable		 3sudC-4lxiA:
21.58
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.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		4 / 7 GLY A  34
GLY A  35
ALA A  38
ILE A 162
 22J  A 301 (-3.7A)
22J  A 301 (-3.1A)
22J  A 301 (-3.4A)
None
 0.74A 4yjiA-4lxiA:
1.4		 4yjiA-4lxiA:
19.00
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.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		3 / 3 ASN A  43
ALA A  38
ARG A 180
 22J  A 301 (-2.9A)
22J  A 301 (-3.4A)
22J  A 301 (-2.9A)
 0.74A 5cvtB-4lxiA:
4.1		 5cvtB-4lxiA:
24.30
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		4 / 8 GLY A  35
GLY A  34
ASP A  39
HIS A  32
 22J  A 301 (-3.1A)
22J  A 301 (-3.7A)
None
None
 0.80A 5f8yA-4lxiA:
undetectable		 5f8yA-4lxiA:
18.75
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		4 / 8 ASP A  46
ILE A 259
TRP A 256
TYR A 179
 None
None
22J  A 301 (-4.0A)
None
 1.20A 6hisA-4lxiA:
undetectable
6hisB-4lxiA:
undetectable		 6hisA-4lxiA:
18.59
6hisB-4lxiA:
18.59
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		4 / 8 ASP A  46
ILE A 259
TRP A 256
TYR A 179
 None
None
22J  A 301 (-4.0A)
None
 1.21A 6hisB-4lxiA:
undetectable
6hisC-4lxiA:
undetectable		 6hisB-4lxiA:
18.59
6hisC-4lxiA:
18.59
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		4 / 8 ASP A  46
ILE A 259
TRP A 256
TYR A 179
 None
None
22J  A 301 (-4.0A)
None
 1.20A 6hisC-4lxiA:
undetectable
6hisD-4lxiA:
undetectable		 6hisC-4lxiA:
18.59
6hisD-4lxiA:
18.59
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		4 / 8 ASP A  46
ILE A 259
TRP A 256
TYR A 179
 None
None
22J  A 301 (-4.0A)
None
 1.20A 6hisD-4lxiA:
undetectable
6hisE-4lxiA:
undetectable		 6hisD-4lxiA:
18.59
6hisE-4lxiA:
18.59
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 4lxi MCP HYDROLASE
(Sphingomonas
wittichii) 		4 / 8 TYR A 179
ASP A  46
ILE A 259
TRP A 256
 None
None
None
22J  A 301 (-4.0A)
 1.21A 6hisA-4lxiA:
undetectable
6hisE-4lxiA:
undetectable		 6hisA-4lxiA:
18.59
6hisE-4lxiA:
18.59