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Ligand · W06

W06 · (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid

W06, (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid (C17 H11 F11 N2 O3, 500.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
W06
Formula
C17 H11 F11 N2 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

W06 in 4 structures; the first of them:

  • 5B2U · Crystal Structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan · W06 A502 · binds LEU17, LEU20, PRO25, VAL26, LEU29, PHE42, GLU43, ALA44 and 13 more
  • 5B2V · Crystal Structure of P450BM3 with N-perfluorohexanoyl-L-tryptophan · W06 A502 · binds LEU17, LEU20, PRO25, VAL26, LEU29, PHE42, ALA44, ARG47 and 13 more
  • 5B2U · Crystal structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan · W06 A502 · binds LEU17, LEU20, PRO25, VAL26, LEU29, PHE42, GLU43, ALA44 and 13 more
  • 5B2V · Crystal structure of P450BM3 with N-perfluorohexanoyl-L-tryptophan · W06 A502 · binds LEU17, LEU20, PRO25, VAL26, LEU29, PHE42, ALA44, ARG47 and 13 more

Residues it binds most

LEU 8, ALA 8, PHE 8, PRO 8, THR 8, MET 8, VAL 8, ARG 8, GLN 8, SER 8 (residue and the binding sites it lines).

Found with

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

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