Ligand · H8E

H8E · benzyl-N-[(2S)-1-[[(3S)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate

H8E, benzyl-N-[(2S)-1-[[(3S)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate (C34 H42 N6 O6, 630.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component: H8E
Formula: C34 H42 N6 O6
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

H8E in 1 structure; the first of them:

6I9A · Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36 · H8E A707 · binds TRP391, THR442, ALA443, HIS444, GLY445, SER446, ALA451, ASN475 and 9 more

Residues it binds most

ALA 2, ASN 2, CYS 2, HIS 2, SER 2, TRP 2, ASP 2, GLY 2, ILE 2, THR 2 (residue and the binding sites it lines).

Found with

DTV · (2S,3S)-1,4-dimercaptobutane-2,3-diol
CA · Calcium ion
NA · Sodium ion
UNX · Unknown atom or ion
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
GOL · Glycerol

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