SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AI2'


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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		5 / 12 PHE A 178
GLY A 291
GLY A 290
ALA A 359
ASP A 313
 None
None
AI2  A 501 ( 4.6A)
None
None
 1.22A 3i5uA-2hj9A:
2.4		 3i5uA-2hj9A:
23.21
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.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		3 / 3 SER A 207
ASP A 136
ASN A 159
 None
None
AI2  A 501 (-3.3A)
 1.01A 3lsfB-2hj9A:
3.2
3lsfE-2hj9A:
2.5		 3lsfB-2hj9A:
20.11
3lsfE-2hj9A:
20.11
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		3 / 3 ASP A 136
ASN A 159
SER A 207
 None
AI2  A 501 (-3.3A)
None
 0.99A 3lsfB-2hj9A:
3.2
3lsfE-2hj9A:
2.6		 3lsfB-2hj9A:
20.11
3lsfE-2hj9A:
20.11
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		3 / 3 ASP A 136
ASN A 159
SER A 207
 None
AI2  A 501 (-3.3A)
None
 0.94A 3lslA-2hj9A:
undetectable
3lslD-2hj9A:
2.8		 3lslA-2hj9A:
20.40
3lslD-2hj9A:
20.40
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.
3LSL_D_PZID802_0
(GLUTAMATE RECEPTOR 2)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		3 / 3 SER A 207
ASP A 136
ASN A 159
 None
None
AI2  A 501 (-3.3A)
 0.93A 3lslA-2hj9A:
1.6
3lslD-2hj9A:
2.7		 3lslA-2hj9A:
20.40
3lslD-2hj9A:
20.40
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		3 / 4 SER A 363
GLY A 290
GLU A 186
 None
AI2  A 501 ( 4.6A)
None
 0.64A 3raeA-2hj9A:
undetectable
3raeC-2hj9A:
3.5		 3raeA-2hj9A:
21.43
3raeC-2hj9A:
20.06
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.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		5 / 9 THR A 134
ILE A 211
HIS A 180
ASN A  85
TYR A  73
 None
AI2  A 501 ( 4.6A)
None
None
None
 1.33A 3upwA-2hj9A:
2.6		 3upwA-2hj9A:
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.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		3 / 4 SER A 363
GLY A 290
GLU A 186
 None
AI2  A 501 ( 4.6A)
None
 0.56A 4juoA-2hj9A:
undetectable
4juoC-2hj9A:
2.9		 4juoA-2hj9A:
21.43
4juoC-2hj9A:
21.23
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.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP
(Vibrio
harveyi) 		4 / 6 ASP A 112
ASP A 136
ASN A 159
GLN A  77
 None
None
AI2  A 501 (-3.3A)
AI2  A 501 (-2.8A)
 1.21A 5l6eA-2hj9A:
undetectable		 5l6eA-2hj9A:
20.76