Receptor
PDB id Resolution Class Description Source Keywords
3R5T 1.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HOLO-VIUP VIBRIO CHOLERAE IRON-VIBRIOBACTIN TRANSPORT PROTEIN PERIPLASMIC TRANSPORT PIRON-SIDEROPHORE BINDING METAL TRANSPORT
Ref.: UNIQUE IRON COORDINATION IN IRON-CHELATING MOLECULE VIBRIOBACTIN HELPS VIBRIO CHOLERAE EVADE MAMMALIAN SIDEROCALIN-MEDIATED IMMUNE RESPONSE. J.BIOL.CHEM. V. 287 8912 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:5;
 Invalid;
 none;
 submit data
60.052 C2 H4 O2 CC(=O...
EDO A:4;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
FE A:2;
 Invalid;
 none;
 submit data
55.845 Fe [Fe+3...
MOH A:3;
 Invalid;
 none;
 submit data
32.042 C H4 O CO
VBN A:1;
 Valid;
 none;
 submit data
705.711 C35 H39 N5 O11 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R5T 1.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HOLO-VIUP VIBRIO CHOLERAE IRON-VIBRIOBACTIN TRANSPORT PROTEIN PERIPLASMIC TRANSPORT PIRON-SIDEROPHORE BINDING METAL TRANSPORT
Ref.: UNIQUE IRON COORDINATION IN IRON-CHELATING MOLECULE VIBRIOBACTIN HELPS VIBRIO CHOLERAE EVADE MAMMALIAN SIDEROCALIN-MEDIATED IMMUNE RESPONSE. J.BIOL.CHEM. V. 287 8912 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 3R5T - VBN C35 H39 N5 O11 C[C@@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 3R5T - VBN C35 H39 N5 O11 C[C@@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 3R5T - VBN C35 H39 N5 O11 C[C@@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VBN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 VBN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: VBN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R5T; Ligand: VBN; 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: 3r5t.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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