Receptor
PDB id Resolution Class Description Source Keywords
1JX6 1.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF LUXP FROM VIBRIO HARVEYI COMPLEXED WITH AUTOINDUCER-2 VIBRIO HARVEYI PROTEIN-LIGAND COMPLEX SIGNALING PROTEIN
Ref.: STRUCTURAL IDENTIFICATION OF A BACTERIAL QUORUM-SENSING SIGNAL CONTAINING BORON. NATURE V. 415 545 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AI2 A:400;
 Valid;
 none;
 submit data
192.94 C5 H10 B O7 [B-]1...
CA A:401;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JX6 1.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF LUXP FROM VIBRIO HARVEYI COMPLEXED WITH AUTOINDUCER-2 VIBRIO HARVEYI PROTEIN-LIGAND COMPLEX SIGNALING PROTEIN
Ref.: STRUCTURAL IDENTIFICATION OF A BACTERIAL QUORUM-SENSING SIGNAL CONTAINING BORON. NATURE V. 415 545 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1JX6 - 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 214 families.
1 1JX6 - 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 181 families.
1 1JX6 - AI2 C5 H10 B O7 [B-]1(O[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AI2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AI2 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AI2; Similar ligands found: 77
No: Ligand Similarity coefficient
1 EU7 0.9184
2 RIM 0.9178
3 MAN 0.9006
4 OAF 0.8992
5 OFQ 0.8987
6 CNL 0.8975
7 NHC 0.8942
8 Z6J 0.8894
9 CIT 0.8890
10 LFR 0.8880
11 CAM 0.8873
12 TLA 0.8857
13 FLC 0.8844
14 FAC 0.8833
15 308 0.8830
16 ASC 0.8816
17 GLC 0.8812
18 TAR 0.8812
19 FRU 0.8807
20 CAH 0.8805
21 SNE 0.8800
22 TCM 0.8796
23 RUU 0.8787
24 SRT 0.8787
25 FA1 0.8775
26 IPM 0.8772
27 XLS 0.8755
28 DZX 0.8753
29 IUP 0.8753
30 RIP 0.8745
31 BDF 0.8743
32 SOE 0.8742
33 TMH 0.8738
34 5HY 0.8729
35 FUL 0.8728
36 ISD 0.8727
37 AH8 0.8725
38 AHB 0.8721
39 DMJ 0.8713
40 ICT 0.8708
41 149 0.8702
42 BMA 0.8700
43 0MK 0.8689
44 4NG 0.8688
45 CAX 0.8686
46 4P0 0.8683
47 AHR 0.8683
48 GLL 0.8677
49 MMA 0.8677
50 SVJ 0.8668
51 0OC 0.8663
52 ENL 0.8662
53 DGJ 0.8659
54 X1E 0.8651
55 3PG 0.8633
56 4RW 0.8628
57 GLU 0.8627
58 BGC 0.8626
59 RIB 0.8621
60 XYS 0.8620
61 HYP 0.8614
62 QIC 0.8612
63 ADA 0.8605
64 YIO 0.8597
65 CGB 0.8592
66 XXR 0.8573
67 GAL 0.8570
68 2AS 0.8563
69 GCS 0.8562
70 IF7 0.8557
71 FA3 0.8556
72 PAF 0.8549
73 MUC 0.8549
74 NOJ 0.8547
75 IMR 0.8540
76 R1X 0.8536
77 23B 0.8535
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JX6; Ligand: AI2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1jx6.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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