Ligand · A1AP7

A1AP7 · 4-(4-methyl-1H-pyrazol-5-yl)pyridine

A1AP7, 4-(4-methyl-1H-pyrazol-5-yl)pyridine (C9 H9 N3, 159.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component: A1AP7
Formula: C9 H9 N3
Class: ligand
Structures: 4
PDB entries: 4

Binding sites

A1AP7 in 4 structures; the first of them:

7H7F · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · A1AP7 A209 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, CYS143, ARG144
7HIH · Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal… · A1AP7 A208 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, TYR142, CYS143 and 1 more
7HIJ · Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal… · A1AP7 A209 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, TYR142, CYS143 and 1 more
7HKC · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · A1AP7 A1012 · binds VAL507, GLU510, GLY511, LEU512, LEU515, SER661, CYS709

Residues it binds most

ARG 13, GLY 14, ALA 11, CYS 12, VAL 12, ASP 11, ILE 11, TYR 11, MET 10, PRO 7 (residue and the binding sites it lines).

Found with

CL · Chloride ion
DMS · Dimethyl sulfoxide
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
XJV · imidazolidin-2-one
W3G · pyridazin-3(2H)-one
W3S · [1,2,4]triazolo[4,3-a]pyridin-3-amine
ZN · Zinc ion
PO4 · Phosphate ion
MES · 2-(N-morpholino)-ethanesulfonic acid
PEG · Di(hydroxyethyl)ether

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