SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jqo'

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.
1AV2_B_DVAB8_0
(GRAMICIDIN A)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		3 / 3 VAL A 327
VAL A 329
TRP A 127
 None
 0.98A 1av2A-4jqoA:
undetectable
1av2B-4jqoA:
undetectable		 1av2A-4jqoA:
2.87
1av2B-4jqoA:
2.87
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		5 / 11 LEU A 163
ALA A 161
VAL A 257
LEU A 262
GLN A 264
 None
None
None
PEG  A 404 (-4.9A)
None
 1.17A 1rlbF-4jqoA:
undetectable		 1rlbF-4jqoA:
16.71
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.
1W5U_B_DVAB8_0
(GRAMICIDIN D)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		3 / 3 VAL A 327
VAL A 329
TRP A 127
 None
 0.88A 1w5uA-4jqoA:
undetectable
1w5uB-4jqoA:
undetectable		 1w5uA-4jqoA:
2.87
1w5uB-4jqoA:
2.87
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		4 / 5 ALA A 161
TYR A 162
TYR A 231
GLN A 138
 None
None
None
CIR  A 402 (-3.6A)
 1.15A 1xl6A-4jqoA:
undetectable
1xl6B-4jqoA:
undetectable		 1xl6A-4jqoA:
20.88
1xl6B-4jqoA:
20.88
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.
2ACL_C_REAC503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		5 / 10 ALA A  67
ALA A  68
GLN A  71
ASN A  48
ILE A 105
 None
 1.05A 2aclC-4jqoA:
undetectable		 2aclC-4jqoA:
22.22
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.
2BR4_B_SAMB301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		4 / 4 LEU A  13
SER A  28
ASP A 142
ASP A 233
 CL  A 403 (-3.9A)
None
None
CIR  A 402 (-3.2A)
 1.37A 2br4B-4jqoA:
5.1		 2br4B-4jqoA:
19.39
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.
2O01_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		4 / 8 PHE A 314
SER A 311
ALA A 278
LEU A 276
 None
 0.99A 2o01A-4jqoA:
undetectable		 2o01A-4jqoA:
19.23
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		5 / 12 LEU A  11
ASN A   9
ALA A  95
ALA A  50
GLY A 129
 None
 1.05A 3c6gA-4jqoA:
undetectable		 3c6gA-4jqoA:
21.69
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		5 / 12 LEU A  11
ASN A   9
ALA A  95
ALA A  50
GLY A 129
 None
 1.04A 3c6gB-4jqoA:
undetectable		 3c6gB-4jqoA:
21.69
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		5 / 12 ALA A  67
ALA A  68
GLN A  71
ASN A  48
ILE A 105
 None
 0.97A 3e00A-4jqoA:
undetectable		 3e00A-4jqoA:
22.60
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.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		6 / 12 ILE A 206
ALA A 205
ALA A 202
GLN A 204
ILE A  21
LEU A  14
 None
None
PEG  A 405 ( 3.8A)
None
None
PEG  A 405 ( 4.5A)
 1.47A 3oapA-4jqoA:
undetectable		 3oapA-4jqoA:
22.47
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		5 / 10 GLY A 104
LEU A 118
LEU A  98
ASN A  48
ILE A  52
 None
 1.19A 3wdmB-4jqoA:
undetectable		 3wdmB-4jqoA:
20.98
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.
4L4D_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 4jqo ORNITHINE
CARBAMOYLTRANSFERASE
(Vibrio
vulnificus) 		4 / 8 THR A 265
THR A 232
VAL A 257
VAL A 188
 None
 1.04A 4l4dA-4jqoA:
undetectable		 4l4dA-4jqoA:
22.02