Ligand · VCS

VCS · 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate

VCS, 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate (C19 H20 N3 O8 P, 449.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record…

Component: VCS
Formula: C19 H20 N3 O8 P
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

VCS in 1 structure; the first of them:

6XRH · Salmonella typhimurium tryptophan synthase complexed with oxindolyl-L- alanine and… · VCS B402 · binds ALA85, HIS86, LYS87, GLU109, THR110, GLY111, GLY113, GLN114 and 17 more

Residues it binds most

GLY 1, ALA 1, GLU 1, HIS 1, LEU 1, SER 1, THR 1, ASN 1, CYS 1, GLN 1 (residue and the binding sites it lines).

Found with

1GP · Sn-glycerol-1-phosphate
VCP · (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
NA · Sodium ion
DMS · Dimethyl sulfoxide

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