Receptor
PDB id Resolution Class Description Source Keywords
2CHU 2.4 Å NON-ENZYME: BINDING CEUE IN COMPLEX WITH MECAM CAMPYLOBACTER JEJUNI ENTEROCHELIN UPTAKE IRON CAMPYLOBACTER JEJUNI MECAM SELFASSEMBLY SIDEROPHORE BINDING PROTEIN
Ref.: AN [{FE(MECAM)}(2)](6-) BRIDGE IN THE CRYSTAL STRUC A FERRIC ENTEROBACTIN BINDING PROTEIN. ANGEW.CHEM.INT.ED.ENGL. V. 45 5132 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ECA ECA FE FE B:1311;
Valid;
none;
submit data
n/a n/a
ZN A:1311;
B:1315;
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
5A5D 1.74 Å NON-ENZYME: BINDING A COMPLEX OF THE SYNTHETIC SIDEROPHORE ANALOGUE FE(III)-5-LI THE CEUE PERIPLASMIC PROTEIN FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI TRANSPORT PROTEIN SYNTHETIC SIDEROPHORE LIGAND COMPLEX PEBINDING PROTEIN TETRADENTATE SIDEROPHORES
Ref.: INTERACTIONS OF THE PERIPLASMIC BINDING PROTEIN CEU FE(III) N-LICAM(4-) SIDEROPHORE ANALOGUES OF VARIED LENGTH. SCI REP V. 7 45941 2017
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5ADW Kd = 10.1 nM EHS C20 H20 N2 O11 c1cc(c(c(c....
2 5A1J - LCM C18 H20 N2 O6 c1cc(c(c(c....
3 5TCY Kd = 22 nM 5LC C19 H22 N2 O6 c1cc(c(c(c....
4 5ADV Kd = 10.1 nM EHS C20 H20 N2 O11 c1cc(c(c(c....
5 2CHU - ECA ECA FE FE n/a n/a
6 5AD1 Kd = 58 nM 8LC C22 H28 N2 O6 c1cc(c(c(c....
7 5A5D Kd < 10 nM 5LC C19 H22 N2 O6 c1cc(c(c(c....
8 5A5V Kd = 33 nM PXJ C20 H24 N2 O6 c1cc(c(c(c....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5ADW Kd = 10.1 nM EHS C20 H20 N2 O11 c1cc(c(c(c....
2 5A1J - LCM C18 H20 N2 O6 c1cc(c(c(c....
3 5TCY Kd = 22 nM 5LC C19 H22 N2 O6 c1cc(c(c(c....
4 5ADV Kd = 10.1 nM EHS C20 H20 N2 O11 c1cc(c(c(c....
5 2CHU - ECA ECA FE FE n/a n/a
6 5AD1 Kd = 58 nM 8LC C22 H28 N2 O6 c1cc(c(c(c....
7 5A5D Kd < 10 nM 5LC C19 H22 N2 O6 c1cc(c(c(c....
8 5A5V Kd = 33 nM PXJ C20 H24 N2 O6 c1cc(c(c(c....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5ADW Kd = 10.1 nM EHS C20 H20 N2 O11 c1cc(c(c(c....
2 5A1J - LCM C18 H20 N2 O6 c1cc(c(c(c....
3 5TCY Kd = 22 nM 5LC C19 H22 N2 O6 c1cc(c(c(c....
4 5ADV Kd = 10.1 nM EHS C20 H20 N2 O11 c1cc(c(c(c....
5 2CHU - ECA ECA FE FE n/a n/a
6 5AD1 Kd = 58 nM 8LC C22 H28 N2 O6 c1cc(c(c(c....
7 5A5D Kd < 10 nM 5LC C19 H22 N2 O6 c1cc(c(c(c....
8 5A5V Kd = 33 nM PXJ C20 H24 N2 O6 c1cc(c(c(c....
9 6MFL Kd = 160 nM OPV C16 H18 N4 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ECA ECA FE FE; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: ECA ECA FE FE; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ECA ECA FE FE 0.9997
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A5D; Ligand: 5LC; 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: 5a5d.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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