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Ligand · 8LB

8LB · (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl) phosphoryl]amino]pentanoyl]amino]hexanoic acid

8LB, (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl) phosphoryl]amino]pentanoyl]amino]hexanoic acid (C21 H35 N4 O7 P, 486.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
8LB
Formula
C21 H35 N4 O7 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

8LB in 2 structures; the first of them:

  • 5N31 · Thermolysin in complex with inhibitor JC277 · 8LB E410 · binds ASN111, ASN112, ALA113, PHE114, TRP115, ASN116, PHE130, LEU133 and 11 more
  • 5N31 · Thermolysin in complex with inhibitor JC277 · 8LB E410 · binds ASN111, ASN112, ALA113, PHE114, TRP115, ASN116, PHE130, LEU133 and 9 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • MPD · (4S)-2-methyl-2,4-pentanediol

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