Receptor
PDB id Resolution Class Description Source Keywords
1O69 1.84 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF A PLP-DEPENDENT ENZYME CAMPYLOBACTER JEJUNI STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:403;
B:403;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
X04 A:402;
B:395;
Valid;
Valid;
none;
none;
submit data
262.157 C8 H11 N2 O6 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O69 1.84 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF A PLP-DEPENDENT ENZYME CAMPYLOBACTER JEJUNI STRUCTURAL GENOMICS UNKNOWN FUNCTION
Ref.: STRUCTURAL ANALYSIS OF A SET OF PROTEINS RESULTING BACTERIAL GENOMICS PROJECT PROTEINS V. 60 787 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4ZTC - 4RA C25 H36 N5 O20 P3 Cc1c(c(c(c....
2 1O69 - X04 C8 H11 N2 O6 P Cc1c(c(c(c....
3 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4ZTC - 4RA C25 H36 N5 O20 P3 Cc1c(c(c(c....
2 1O69 - X04 C8 H11 N2 O6 P Cc1c(c(c(c....
3 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5U21 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
2 5U23 - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
3 5U24 - 7SG C24 H35 N4 O19 P3 Cc1c(c(c(c....
4 1O69 - X04 C8 H11 N2 O6 P Cc1c(c(c(c....
5 1O61 - PLP C8 H10 N O6 P Cc1c(c(c(c....
6 3FRK - TQP C24 H35 N4 O19 P3 Cc1c(c(c(c....
7 3NU7 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
8 3NUB - UD0 C25 H34 N5 O22 P3 Cc1c(c(c(c....
9 3BN1 - AKG C5 H6 O5 C(CC(=O)O)....
10 3DR4 - G4M C24 H36 N7 O19 P3 Cc1c(c(c(c....
11 3DR7 - GPD C16 H26 N6 O13 P2 C[C@@H]1[C....
12 2OGA - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: X04; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 X04 1 1
2 PLP 0.431034 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O69; Ligand: X04; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1o69.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 5W71 PLP 36.2944
2 6EWR PMP 47.2081
Pocket No.: 2; Query (leader) PDB : 1O69; Ligand: X04; 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: 1o69.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
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