Receptor
PDB id Resolution Class Description Source Keywords
4OEV 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF NIKZ FROM CAMPYLOBACTER JEJUNI IN COMPL NI(II) ION CAMPYLOBACTER JEJUNI EXTRACYTOPLASMIC NICKEL IMPORT METAL TRANSPORT ABC-TYPE IEXTRACYTOPLASMIC NICKEL-BINDING PROTEIN TRANSPORT PROTEIN
Ref.: PROMISCUOUS NICKEL IMPORT IN HUMAN PATHOGENS: STRUC THERMODYNAMICS, AND EVOLUTION OF EXTRACYTOPLASMIC NICKEL-BINDING PROTEINS. STRUCTURE V. 22 1421 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OXL B:502;
A:502;
Valid;
Valid;
none;
none;
submit data
88.019 C2 O4 C(=O)...
GOL B:503;
B:505;
B:506;
A:503;
B:504;
A:504;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NI A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OEV 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF NIKZ FROM CAMPYLOBACTER JEJUNI IN COMPL NI(II) ION CAMPYLOBACTER JEJUNI EXTRACYTOPLASMIC NICKEL IMPORT METAL TRANSPORT ABC-TYPE IEXTRACYTOPLASMIC NICKEL-BINDING PROTEIN TRANSPORT PROTEIN
Ref.: PROMISCUOUS NICKEL IMPORT IN HUMAN PATHOGENS: STRUC THERMODYNAMICS, AND EVOLUTION OF EXTRACYTOPLASMIC NICKEL-BINDING PROTEINS. STRUCTURE V. 22 1421 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4OEV - OXL C2 O4 C(=O)(C(=O....
2 4OEU - HIS C6 H10 N3 O2 c1c([nH+]c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 4OEV - OXL C2 O4 C(=O)(C(=O....
2 4OEU - HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 4OEV - OXL C2 O4 C(=O)(C(=O....
2 4OEU - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1XOC - VAL ASP SER LYS ASN THR SER SER TRP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OEV; Ligand: OXL; 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: 4oev.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4OEV; Ligand: OXL; 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: 4oev.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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