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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...
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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 with APoc: 91
This union binding pocket(no: 1) in the query (biounit: 2hj9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2OZ5 7XY 1.80995
2 4M8E 29V 2.26244
3 3IU9 T07 2.26244
4 2WK9 PLG 2.65487
5 5W19 9TD 2.71493
6 5VEQ PMP 2.94985
7 6G9I CXX 2.97619
8 1GCK ASP PLP 3.16742
9 1Q8Y ADP 3.16742
10 3KMZ EQO 3.16742
11 4QYS PLP SEP 3.53982
12 4ONA UW1 3.53982
13 3NEM AMO 3.53982
14 2RIO ADP 3.61991
15 4WPF 3SN 3.61991
16 1WCQ DAN 3.61991
17 1EUS DAN 3.61991
18 5K8P 6R8 3.83481
19 5UC9 MYR 3.9823
20 1PHK ATP 4.0724
21 5MUJ RAM ARA RAM 8OQ RAM GAL XXM 8PK 4.12979
22 3ORK AGS 4.18006
23 4ITU 1HS 4.52489
24 1VGV UD1 4.97738
25 2PVN P63 5.01475
26 2Q16 ITT 5.02283
27 4MOP 2H5 5.30973
28 3GDN FAD 5.42986
29 3GDN HBX 5.42986
30 6C3C EJ1 5.42986
31 6H3O FAD 5.42986
32 12AS AMP 5.42986
33 3FAL REA 5.78512
34 2PTR 2SA 5.88235
35 2YYJ FAD 5.88235
36 2YYJ 4HP 5.88235
37 3ZKK XYP XYP XYP XYP 5.88235
38 1ZDT PEF 5.88235
39 4IRX INS 6.08108
40 5G09 6DF 6.19469
41 5X2Z 3LM 6.33484
42 2GCG NDP 6.33484
43 4OMJ 2TX 6.33484
44 4FG8 ATP 6.66667
45 5APK 76E 6.78733
46 6ESN BWE 6.78733
47 1LC8 33P 6.78733
48 3A1C ACP 6.96864
49 9ABP GLA 7.18954
50 9ABP GAL 7.18954
51 2H3H BGC 7.23982
52 2UUU FAD 7.23982
53 2UUU PL3 7.23982
54 5FPN KYD 7.23982
55 4JR7 GNP 7.23982
56 1OLM VTQ 7.37463
57 4MLN ODV 7.65306
58 4IY7 0JO 7.66962
59 4IY7 KOU 7.66962
60 2I80 G1L 8.1448
61 4DVE BTN 8.58586
62 4WOP CTP 8.88889
63 3OID TCL 8.91473
64 4DOL PLM 9.21659
65 5U23 TQP 9.50226
66 4JB0 ENO 9.73451
67 4P3H 25G 9.84456
68 3NJQ NJQ 9.84456
69 5XSJ XYP 9.95475
70 5XSS XYP 9.95475
71 1QM5 GLC GLC GLC PO4 SGC GLC 10.4072
72 4ZM4 P3B 10.4072
73 1QPB PYM 10.4072
74 1QPB TPP 10.4072
75 4XSU GLC 11.3122
76 3TYZ XHP 11.3122
77 4XSU UDP 11.3122
78 1QFT HSM 12
79 1TJY PAV 12.3418
80 5IWQ PLP 12.6697
81 1RDT L79 13.5747
82 4C2V YJA 13.6364
83 5T2U NAP 14.0271
84 5Z84 PSC 14.8936
85 5NTW 98N 15
86 3O75 F1X 15.3846
87 2P9H IPT 15.3846
88 1UDY FAD 16.7421
89 5LI1 ANP 17.1946
90 2VL8 UDP 19.457
91 5WRE 7TL 23.871
Pocket No.: 2; Query (leader) PDB : 2HJ9; Ligand: AI2; Similar sites found with APoc: 33
This union binding pocket(no: 2) in the query (biounit: 2hj9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5IF4 6AK 3.14465
2 4RVU NDP 3.61991
3 4LSJ LSJ 4.0724
4 5YAK FMN 4.0724
5 6B2M COA 4.1958
6 3P3G 3P3 4.33333
7 3P3G UKW 4.33333
8 4OIV XX9 4.86726
9 3KF3 FRU 4.97738
10 3UG4 AHR 5.01475
11 4X17 SIA SIA 5.42986
12 4X17 SIA 5.42986
13 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 5.88235
14 3C88 ARG ARG GLY CYS NH2 6.19469
15 2PQ9 GG9 6.19469
16 4B7X NAP 6.33484
17 4IKR PVP 6.78733
18 2ZRU FMN 6.78733
19 2AE2 PTO 6.92308
20 2AE2 NAP 6.92308
21 2PP3 LGT 7.23982
22 1AE1 NAP 7.69231
23 2YPO PHE 7.69231
24 3NRZ FAD 7.92683
25 1Y0G 8PP 8.37696
26 2ZB4 NAP 9.04977
27 2BNJ XYP XYP AHR FER 11.2211
28 2MAS PIR 12.1019
29 4UBP HAE 12.2172
30 4R5Z SIN 13.3515
31 3H0A 9RA 13.5747
32 5ZCO PSC 14.8936
33 3L9R L9Q 25.5102
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