Structure of PDB 1s2d Chain B Binding Site BS01

Receptor Information
>1s2d Chain B (length=167) Species: 1587 (Lactobacillus helveticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAVVPTGKIYLGSPFYSDAQRERAAKAKELLAKNPSIAHVFFPFDDGFT
DPDEKNPEIGGIRSMVWRDATYQNDLTGISNATCGVFLYDMDQLDDGSAF
EIGFMRAMHKPVILVPFTEHPEKEKKMNLMIAQGVTTIIDGNTEFEKLAD
YNFNECPSNPVRGYGIY
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain1s2d Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s2d Structures of purine 2'-deoxyribosyltransferase, substrate complexes, and the ribosylated enzyme intermediate at 2.0 A resolution.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F45 W67 T71 D75
Binding residue
(residue number reindexed from 1)		F45 W67 T71 D75
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y11 D75 D95 E101
Catalytic site (residue number reindexed from 1) Y11 D75 D95 E101
Enzyme Commision number 2.4.2.6: nucleoside deoxyribosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0050144 nucleoside deoxyribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:1s2d, PDBe:1s2d, PDBj:1s2d
PDBsum1s2d
PubMed14992575
UniProtQ8RLY5

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