Ligand · CO0

CO0 · (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione

CO0, (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione (C17 H14 N2 O2, 278.3 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component: CO0
Formula: C17 H14 N2 O2
Class: ligand
Structures: 7
PDB entries: 4

Binding sites

CO0 in 7 structures; the first of them:

6K0E · The quinary complex of AsqJ-Fe-2OG-dehydrocyclopeptin-dioxygen · CO0 B403 · binds ASN70, VAL72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 9 more
7OLK · Dioxygenase AsqJ in complex with 2b and Tris · CO0 A402 · binds ASN70, VAL72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 8 more
7OLO · Dioxygenase AsqJ mutant (V72I) in complex with 2b and glycerol · CO0 A402 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 6 more
6K0E · The quinary complex of asqj-fe-2OG-dehydrocyclopeptin-dioxygen · CO0 B403 · binds ASN70, VAL72, LEU73, LEU79, MET118, MET122, GLN131, HIS134 and 4 more
7OLK · Dioxygenase asqj in complex with 2B and tris · CO0 A402 · binds ASN70, VAL72, LEU73, LEU79, MET118, MET122, GLN131, HIS134 and 4 more
7OLL · Dioxygenase asqj mutant (V72I) in complex with 2B and tris · CO0 A402 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, HIS134 and 4 more
7OLO · Dioxygenase asqj mutant (V72I) in complex with 2B and glycerol · CO0 A402 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, HIS134 and 3 more

Residues it binds most

MET 7, LEU 7, ASN 7, THR 6, ASP 7, GLN 7, HIS 7, PHE 7, ARG 3, VAL 4 (residue and the binding sites it lines).

Found with

NI · Nickel (II) ion
BR · Bromide ion
CL · Chloride ion
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
AKG · 2-oxoglutaric acid
PEO · Hydrogen peroxide
FE · Fe (III) ion
GOL · Glycerol

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