Ligand · CI2
CI2 · (5beta)-pregnane-3,20-dione
CI2, (5beta)-pregnane-3,20-dione (C21 H32 O2, 316.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…
- Component
- CI2
- Formula
- C21 H32 O2
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
CI2 in 4 structures; the first of them:
- 1XV9 · crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and… · CI2 D1001 · binds HIS160, PHE161, ILE164, ASN165, MET168, HIS203, LEU206, PHE217 and 6 more
- 3CAV · Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and… · CI2 A328 · binds TYR26, ILE57, TYR58, TRP89, GLU120, TYR132, TRP140, TRP230 and 4 more
- 1XV9 · Crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and… · CI2 D1001 · binds HIS160, PHE161, ILE164, ASN165, MET168, HIS203, LEU206, PHE217 and 6 more
- 3CAV · Crystal structure of 5BETA-reductase (AKR1D1) in complex with NADP+ and… · CI2 A328 · binds TYR26, ILE57, TYR58, TRP89, GLU120, TYR132, TRP140, TRP230 and 4 more
Residues it binds most
TRP 4, TYR 6, PHE 2, ILE 6, LEU 4, GLU 4, HIS 2, MET 4, ASN 2, GLY 2 (residue and the binding sites it lines).
Found with
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