Structure of PDB 1s2i Chain C Binding Site BS01

Receptor Information
>1s2i Chain C (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 IDBP1
InChIInChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKeyCTGFGRDVWBZYNB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Brc1ncnc2nc[nH]c12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)ncnc2Br
ACDLabs 10.04Brc1ncnc2ncnc12
FormulaC5 H3 Br N4
Name6-BROMO-7H-PURINE;
BROMOPURINE
ChEMBL
DrugBankDB02168
ZINCZINC000005783717
PDB chain1s2i Chain C Residue 3245 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s2i Structures of purine 2'-deoxyribosyltransferase, substrate complexes, and the ribosylated enzyme intermediate at 2.0 A resolution.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		P44 F45 T71 D75
Binding residue
(residue number reindexed from 1)		P44 F45 T71 D75
Annotation score1
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:1s2i, PDBe:1s2i, PDBj:1s2i
PDBsum1s2i
PubMed14992575
UniProtQ8RLY5

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