GL1X · GenesisL1 explorer

Ligand · W0T

W0T · (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid

W0T, (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid (C18 H11 F13 N2 O3, 550.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
W0T
Formula
C18 H11 F13 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

W0T in 2 structures; the first of them:

  • 5B2X · Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan · W0T A502 · binds LEU17, LEU20, PRO25, VAL26, LEU29, PHE42, GLU43, ALA44 and 16 more
  • 5B2X · Crystal structure of P450BM3 mutant with N-perfluoroheptanoyl-L- tryptophan · W0T A502 · binds LEU17, LEU20, PRO25, VAL26, LEU29, PHE42, GLU43, ALA44 and 16 more

Residues it binds most

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

Found with

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

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