Ligand · A1AQF

A1AQF · (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile

A1AQF, (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile (C5 H7 N O2 S, 145.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component: A1AQF
Formula: C5 H7 N O2 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1AQF in 1 structure; the first of them:

7H8E · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · A1AQF A211 · binds ALA22, ALA23, ASN24, GLY30, ASP31, GLY32, VAL33, CYS34 and 2 more

Residues it binds most

ALA 4, VAL 4, GLY 4, ASN 4, ASP 4, CYS 4, TYR 4, PRO 2 (residue and the binding sites it lines).

Found with

CL · Chloride ion
DMS · Dimethyl sulfoxide
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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