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Ligand · C5R

C5R · (2S)-2-[[(1r,4as,10ar)-1,4A-dimethyl-7-propan-2-yl-2,3, 4,9,10,10A-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid

C5R, (2S)-2-[[(1r,4as,10ar)-1,4A-dimethyl-7-propan-2-yl-2,3, 4,9,10,10A-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid (C31 H38 N2 O3, 486.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
C5R
Formula
C31 H38 N2 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

C5R in 1 structure; the first of them:

  • 6JS8 · Structure of the CYP102A1 haem domain with N-dehydroabietoyl-L- tryptophan · C5R A503 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 9 more

Residues it binds most

LEU 2, ALA 2, VAL 2, MET 2, ARG 2, GLN 2, PHE 2, PRO 2, SER 2, TYR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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