Ligand · 5RY

5RY · 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

5RY, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile (C13 H9 F N6 O S, 316.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its…

Component: 5RY
Formula: C13 H9 F N6 O S
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

5RY in 2 structures; the first of them:

5ETO · E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and… · 5RY A201 · binds THR42, PRO43, PRO44, LEU45, GLY46, TYR53, ASN55, TRP89 and 2 more
5ETT · S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and… · 5RY B202 · binds ASN11, THR43, ALA44, PRO45, VAL46, TYR48, GLN51, PHE54 and 7 more

Residues it binds most

PRO 3, ARG 3, ASN 3, PHE 3, GLY 3, THR 3, TRP 3, TYR 3, ALA 2, GLN 2 (residue and the binding sites it lines).

Found with

APC · Diphosphomethylphosphonic acid adenosyl ester
CA · Calcium ion
MG · Magnesium ion
NA · Sodium ion
CL · Chloride ion

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