Receptor
PDB id Resolution Class Description Source Keywords
1J6W 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS HAEMOPHILUS INFLUENZAE ALPHA-BETA FOLD SIGNALING PROTEIN
Ref.: A STRUCTURAL GENOMICS APPROACH TO THE STUDY OF QUOR SENSING: CRYSTAL STRUCTURES OF THREE LUXS ORTHOLOGS STRUCTURE V. 9 527 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:601;
B:501;
Valid;
Valid;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
ZN A:176;
B:176;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1J6W 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS HAEMOPHILUS INFLUENZAE ALPHA-BETA FOLD SIGNALING PROTEIN
Ref.: A STRUCTURAL GENOMICS APPROACH TO THE STUDY OF QUOR SENSING: CRYSTAL STRUCTURES OF THREE LUXS ORTHOLOGS STRUCTURE V. 9 527 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 301 families.
1 1J6W - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 1J6W - MET C5 H11 N O2 S CSCC[C@@H]....
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 1J6W - MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 B3M 0.472222 0.8125
9 HSE 0.466667 0.617647
10 DAB 0.466667 0.636364
11 SME 0.457143 0.717949
12 MHO 0.457143 0.717949
13 API 0.451613 0.606061
14 HCS 0.451613 0.733333
15 CDT 0.447368 0.756757
16 2MM 0.444444 0.657143
17 NLE 0.441176 0.766667
18 ONL 0.441176 0.71875
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 UN1 0.428571 0.606061
22 GGL 0.424242 0.625
23 DGL 0.424242 0.625
24 GLU 0.424242 0.625
25 CBH 0.418605 0.685714
26 ORN 0.411765 0.65625
27 FME 0.410256 0.84375
28 AME 0.410256 0.771429
29 LEU 0.40625 0.666667
30 C2N 0.4 0.633333
31 DCY 0.4 0.666667
32 JM6 0.4 0.7
33 CYS 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1J6W; Ligand: MET; 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: 1j6w.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1J6W; Ligand: MET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1j6w.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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