GL1X · GenesisL1 explorer

Ligand · 0ZJ

0ZJ · N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide

0ZJ, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide (C23 H36 Cl N6 O4 S +1, 528.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
0ZJ
Formula
C23 H36 Cl N6 O4 S +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

0ZJ in 4 structures; the first of them:

  • 1NU7 · Staphylocoagulase-Thrombin Complex · 0ZJ B299 · binds CYS42, HIS57, CYS58, TYR60A, TRP60D, GLU97A, ASN98, LEU99 and 17 more
  • 1NU9 · Staphylocoagulase-Prethrombin-2 complex · 0ZJ A299 · binds CYS42, HIS57, CYS58, TYR60A, TRP60D, GLU97A, ASN98, LEU99 and 17 more
  • 1NU7 · Staphylocoagulase-thrombin complex · 0ZJ B299 · binds CYS42, HIS57, CYS58, TYR60A, TRP60D, GLU97A, ASN98, LEU99 and 17 more
  • 1NU9 · Staphylocoagulase-prethrombin-2 complex · 0ZJ A299 · binds CYS42, HIS57, CYS58, TYR60A, TRP60D, GLU97A, ASN98, LEU99 and 17 more

Residues it binds most

CYS 8, GLY 8, ASP 8, GLU 8, SER 8, TRP 8, ALA 8, ASN 8, HIS 8, ILE 8 (residue and the binding sites it lines).

Found with

  • HG · Mercury (II) ion
  • IMD · Imidazole

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