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Ligand · NAK

NAK · Amino-acrylate

NAK, Amino-acrylate (C3 H5 N O2, 87.1 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
NAK
Formula
C3 H5 N O2
Class
ligand
Structures
5
PDB entries
3

Binding sites

NAK in 5 structures; the first of them:

  • 1TZM · Crystal structure of ACC deaminase complexed with substrate analog b-chloro-D-alanine · NAK A601 · binds LYS51, SER78, ASN79, GLN80, TRP102, GLY161, THR199, TYR294
  • 4IYO · Crystal structure of cystathionine gamma lyase from Xanthomonas oryzae pv. oryzae… · NAK B402 · binds TYR58, TYR112, ASN160, LLP210, GLU338, SER339, LEU340, THR354 and 2 more
  • 1TZM · Crystal structure of acc deaminase complexed with substrate analog B- chloro-D-alanine · NAK A601 · binds LYS51, SER78, ASN79, GLN80, TRP102, GLY161, THR199, TYR294
  • 2MBZ · Structural basis of a thiopeptide antibiotic multidrug resistance system from… · NAK B510 · binds THR142, ASP143, ALA144, TYR145, TYR205, MET211, CYS214, LEU215 and 4 more
  • 4IYO · Crystal structure of cystathionine gamma lyase from xanthomonas oryzae pv. oryzae… · NAK B402 · binds TYR58, TYR112, ASN160, LLP210, GLU338, SER339, LEU340, THR354 and 2 more

Residues it binds most

TYR 8, SER 8, THR 8, ASN 7, LEU 5, ARG 4, GLU 4, LLP 4, GLN 3, GLY 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • 0JO · 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
  • C2N · 3-chloro-D-alanine
  • PLP · Pyridoxal-5'-phosphate
  • PYR · Pyruvic acid
  • SER · Serine
  • GOL · Glycerol
  • NH2 · Amino group

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