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Ligand · ORK

ORK · (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino) ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid

ORK, (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino) ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid (C25 H34 N3 O7 P, 519.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
ORK
Formula
C25 H34 N3 O7 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

ORK in 2 structures; the first of them:

  • 6YI6 · Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin · ORK E412 · binds ASN112, ALA113, PHE114, TRP115, PHE130, LEU133, VAL139, HIS142 and 9 more
  • 6YI6 · Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin · ORK E412 · binds ASN112, ALA113, PHE114, TRP115, LEU133, VAL139, HIS142, GLU143 and 6 more

Residues it binds most

HIS 2, GLU 2, LEU 2, PHE 2, ALA 2, ARG 2, ASN 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CS · Cesium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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