Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EB4 FE A:1300;
 Valid;
 none;
 Kd = 0.04 uM
725.397 n/a O=C(N...
PEG A:1303;
A:1304;
 Invalid;
Invalid;
 none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
PG4 A:1302;
 Invalid;
 none;
 submit data
194.226 C8 H18 O5 C(COC...
PO4 A:1305;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
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: EB4 FE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 EB4 FE 1 1
2 EB4 1 1
3 8LC 0.440678 0.763636
4 LCM 0.438596 0.727273
5 PXJ 0.423729 0.763636
6 5LC 0.423729 0.745455
Similar Ligands (3D)
Ligand no: 1; Ligand: EB4 FE; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ECA 0.8590
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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