Ligand · KEQ
KEQ · (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
KEQ, (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione (C19 H20 N2 O4, 340.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…
- Component
- KEQ
- Formula
- C19 H20 N2 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
KEQ in 4 structures; the first of them:
- 6RQ9 · CYP121 in complex with O-methyl dicyclotyrosine · KEQ A403 · binds MET62, THR77, VAL78, VAL82, VAL83, ASN85, ALA167, PHE168 and 6 more
- 6UPG · Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe · KEQ A402 · binds MET62, THR77, VAL78, VAL82, VAL83, ASN85, ALA167, PHE168 and 7 more
- 6RQ9 · CYP121 in complex with O-methyl dicyclotyrosine · KEQ A403 · binds MET62, VAL78, VAL82, VAL83, ASN85, ALA167, PHE168, THR229 and 2 more
- 6UPG · Crystal structure of mycobacterium tuberculosis CYP121 in complex with cyf-4-ome · KEQ A402 · binds MET62, VAL78, VAL82, VAL83, ASN85, ALA167, PHE168, THR229 and 3 more
Residues it binds most
VAL 4, PHE 4, ALA 4, THR 4, ARG 4, ASN 4, MET 4, SER 4, TRP 2 (residue and the binding sites it lines).
Found with
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