Receptor
PDB id Resolution Class Description Source Keywords
2WHY 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE TRISCATECHOLATE SIDEROPHORE BINDING PROTEIN FEUA FROM BACILLUS SUBTILIS COMPLEXED WITH F ERRI-BACILLIBACTIN BACILLUS SUBTILIS TRANSPORT PROTEIN BACILLIBACTIN AND ENTEROBACTIN BINDING TRISCATECHOLATE BINDING PROTEIN IRON TRANSPORT HIGH AFFINIMPORT IRON MEMBRANE PALMITATE TRANSPORT ABC-TYPE TRANBINDING PROTEIN SIDEROPHORE BINDING PROTEIN LIPOPROTEIN MEMBRANE ION TRANSPORT
Ref.: STRUCTURAL BASIS AND STEREOCHEMISTRY OF TRISCATECHO SIDEROPHORE BINDING BY FEUA. ANGEW.CHEM.INT.ED.ENGL. V. 48 7924 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1302;
A:1303;
A:1304;
A:1305;
A:1306;
A:1307;
A:1308;
A:1309;
A:1310;
A:1311;
A:1312;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
DBH GLY THR DBH GLY THR DBH GLY THR FE B:11;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XUZ 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE TRISCATECHOLATE SIDEROPHORE BINDING PROTEIN FEUA FROM BACILLUS SUBTILIS COMPLEXED WITH F ERRI-ENTEROBACTIN BACILLUS SUBTILIS TRANSPORT PROTEIN HIGH AFFINITY IRON IMPORT BACILLIBACTIN ENTEROBACTIN BINDING IRON TRANSPORT
Ref.: THE SIDEROPHORE BINDING PROTEIN FEUA SHOWS LIMITED PROMISCUITY TOWARD EXOGENOUS TRISCATECHOLATES CHEM.BIOL. V. 18 907 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2XV1 Kd = 1.03 uM ECA C30 H27 N3 O9 c1cc(c(c(c....
2 2XUZ Kd = 0.04 uM EB4 FE n/a n/a
3 2WHY - DBH GLY THR DBH GLY THR DBH GLY THR FE n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2XV1 Kd = 1.03 uM ECA C30 H27 N3 O9 c1cc(c(c(c....
2 2XUZ Kd = 0.04 uM EB4 FE n/a n/a
3 2WHY - DBH GLY THR DBH GLY THR DBH GLY THR FE n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2XV1 Kd = 1.03 uM ECA C30 H27 N3 O9 c1cc(c(c(c....
2 2XUZ Kd = 0.04 uM EB4 FE n/a n/a
3 2WHY - DBH GLY THR DBH GLY THR DBH GLY THR FE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DBH GLY THR DBH GLY THR DBH GLY THR FE ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: DBH GLY THR DBH GLY THR DBH GLY THR FE ; Similar ligands found: 1
No: Ligand Similarity coefficient
1 DBH GLY THR DBH GLY THR DBH GLY THR FE 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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