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Ligand · VB1

VB1 · N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

VB1, N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine (C13 H23 N3 O6 S, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
VB1
Formula
C13 H23 N3 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VB1 in 2 structures; the first of them:

  • 2VBP · Isopenicillin N synthase with substrate analogue L,L,L-ACAB (unexposed) · VB1 A1333 · binds ARG87, TYR91, VAL100, CYS104, SER183, VAL185, ILE187, TYR189 and 9 more
  • 2VBP · Isopenicillin N synthase with substrate analogue L,L,L-acab (unexposed) · VB1 A1333 · binds ARG87, TYR91, VAL100, CYS104, SER183, VAL185, ILE187, TYR189 and 9 more

Residues it binds most

VAL 2, LEU 2, PHE 2, SER 2, TYR 2, ARG 2, ASP 2, CYS 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • FE2 · Fe (II) ion
  • SO4 · Sulfate ion

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