Structure of PDB 4mej Chain B Binding Site BS01

Receptor Information
>4mej Chain B (length=167) Species: 767462 (Lactobacillus helveticus H10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAVVPTGKIYLGSPFYSDAQRERAAKAKELLAKNPSIAHVFFPFDDGFT
DPDEKNPEIGGIRSMVWRDATYQNDLTGISNATCGVFLYDMDQLDDGSAF
EIGFMRAMHKPVILVPFTEHPEKEKKMNLMIAQGVTTIIDGNTEFEKLAD
YNFNECPSNPVRGYGIY
Ligand information
Ligand ID28Y
InChIInChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13)
InChIKeyOSXKHFTZRHDUJN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C3c1c(ncn1)n2c(ncc2)N3
CACTVS 3.385O=C1Nc2nccn2c3nc[nH]c13
OpenEye OEToolkits 1.7.6c1cn-2c(n1)NC(=O)c3c2nc[nH]3
FormulaC7 H5 N5 O
Name3H-imidazo[2,1-b]purin-4(5H)-one;
N2,3-ethenoguanine
ChEMBL
DrugBank
ZINC
PDB chain4mej Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mej Glycosylation of a tricyclic purine analog at alternative sites by nucleoside 2 -deoxyribosyltransferases
Resolution2.1 Å
Binding residue
(original residue number in PDB)		P44 W67 T71 D75
Binding residue
(residue number reindexed from 1)		P44 W67 T71 D75
Annotation score1
External links