Receptor
PDB id Resolution Class Description Source Keywords
1RYO 1.2 Å NON-ENZYME: TRANSPORT HUMAN SERUM TRANSFERRIN, N-LOBE BOUND WITH OXALATE HOMO SAPIENS IRON TRANSPORT METAL TRANSPORT
Ref.: THE OXALATE EFFECT ON RELEASE OF IRON FROM HUMAN SERUM TRANSFERRIN EXPLAINED. J.MOL.BIOL. V. 339 217 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:329;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
OXL A:328;
Valid;
none;
submit data
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RYO 1.2 Å NON-ENZYME: TRANSPORT HUMAN SERUM TRANSFERRIN, N-LOBE BOUND WITH OXALATE HOMO SAPIENS IRON TRANSPORT METAL TRANSPORT
Ref.: THE OXALATE EFFECT ON RELEASE OF IRON FROM HUMAN SERUM TRANSFERRIN EXPLAINED. J.MOL.BIOL. V. 339 217 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1RYO - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 1RYO - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1RYO - OXL C2 O4 C(=O)(C(=O....
2 3IB2 Kd = 480 uM IBP C13 H18 O2 CC(C)Cc1cc....
3 3IB1 Kd = 260 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
4 3KJ7 - GLC BGC BGC n/a n/a
5 3IAZ Kd = 330 uM AIN C9 H8 O4 CC(=O)Oc1c....
6 3K0V - GLC GAL BGC n/a n/a
7 3IB0 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
8 1IQ7 - NAG C8 H15 N O6 CC(=O)N[C@....
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 : 1RYO; 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: 1ryo.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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