Ligand · WCE

WCE · 3-chloro-benzamide

WCE, 3-chloro-benzamide (C7 H6 Cl N O, 155.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component: WCE
Formula: C7 H6 Cl N O
Class: ligand
Structures: 3
PDB entries: 2

Binding sites

WCE in 3 structures; the first of them:

5AFY · Thrombin in complex with 3-chloro-benzamide · WCE H1248 · binds ASP189, ALA190, CYS191, GLU192, SER195, VAL213, SER214, TRP215 and 6 more
7H94 · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · WCE C206 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, ARG144
5AFY · Thrombin in complex with 3-chloro-benzamide · WCE H1248 · binds ASP189, ALA190, CYS191, GLU192, SER195, VAL213, SER214, TRP215 and 6 more

Residues it binds most

GLY 4, CYS 4, ASP 5, ARG 3, SER 2, ALA 3, TRP 3, VAL 3, GLU 2, MET 2 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide
NA · Sodium ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
PO4 · Phosphate ion
GOL · Glycerol
TYS · O-sulfo-L-tyrosine
CL · Chloride ion
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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