Receptor
PDB id Resolution Class Description Source Keywords
2HJ9 2.34 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF THE AUTOINDUCER-2-BOUND FORM OF VIBRIO HARVEYI LUXP COMPLEXED WITH THE PERIPLASMIC DOMAIN OF LUXQ VIBRIO HARVEYI PERIPLASMIC BINDING PROTEIN PER/ARNT/SIMPLE-MINDED (PAS) FOLD AUTOINDUCER-2 (AI-2) QUORUM SENSING HISTIDINE SENSOR KINASE SIGNALING PROTEIN
Ref.: LIGAND-INDUCED ASYMMETRY IN HISTIDINE SENSOR KINASE COMPLEX REGULATES QUORUM SENSING. CELL(CAMBRIDGE,MASS.) V. 126 1095 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AI2 A:501;
B:502;
Valid;
Valid;
none;
none;
submit data
192.94 C5 H10 B O7 [B-]1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HJ9 2.34 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF THE AUTOINDUCER-2-BOUND FORM OF VIBRIO HARVEYI LUXP COMPLEXED WITH THE PERIPLASMIC DOMAIN OF LUXQ VIBRIO HARVEYI PERIPLASMIC BINDING PROTEIN PER/ARNT/SIMPLE-MINDED (PAS) FOLD AUTOINDUCER-2 (AI-2) QUORUM SENSING HISTIDINE SENSOR KINASE SIGNALING PROTEIN
Ref.: LIGAND-INDUCED ASYMMETRY IN HISTIDINE SENSOR KINASE COMPLEX REGULATES QUORUM SENSING. CELL(CAMBRIDGE,MASS.) V. 126 1095 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2HJ9 - AI2 C5 H10 B O7 [B-]1(O[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2HJ9 - AI2 C5 H10 B O7 [B-]1(O[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2HJ9 - AI2 C5 H10 B O7 [B-]1(O[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AI2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AI2 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HJ9; Ligand: AI2; Similar sites found: 26
This union binding pocket(no: 1) in the query (biounit: 2hj9.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IU9 T07 0.04993 0.40588 2.26244
2 4ZOM 4Q3 0.004592 0.43786 5.42986
3 4OMJ 2TX 0.03813 0.40866 6.33484
4 1QY8 RDI 0.0217 0.40073 6.33484
5 5APK 76E 0.009118 0.43881 6.78733
6 5APJ 76E 0.02213 0.41827 6.78733
7 9ABP GAL 0.001502 0.45796 7.18954
8 9ABP GLA 0.001502 0.40582 7.18954
9 2H3H BGC 0.001038 0.42785 7.23982
10 2UUU PL3 0.04031 0.42401 7.23982
11 4JR7 GNP 0.02145 0.40388 7.23982
12 4MLN ODV 0.004241 0.41401 7.65306
13 3FMI KAP 0.02512 0.40524 7.96813
14 4DVE BTN 0.01309 0.40689 8.58586
15 5U23 TQP 0.04667 0.40155 9.50226
16 4P3H 25G 0.01957 0.41381 9.84456
17 3NJQ NJQ 0.008047 0.40117 9.84456
18 5XSS XYP 0.001395 0.44735 9.95475
19 1QPB PYM 0.04306 0.40005 10.4072
20 1QPB TPP 0.04306 0.40005 10.4072
21 3TYZ XHP 0.03677 0.40044 11.3122
22 5T2U NAP 0.03239 0.41405 14.0271
23 5NTW 98N 0.02316 0.41902 15
24 3O75 F1X 0.0005324 0.42244 15.3846
25 5LI1 ANP 0.02606 0.40383 17.1946
26 5WRE 7TL 0.01932 0.41193 23.871
Pocket No.: 2; Query (leader) PDB : 2HJ9; Ligand: AI2; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2hj9.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback