Structure of PDB 5zc7 Chain B Binding Site BS01

Receptor Information
>5zc7 Chain B (length=181) Species: 273123 (Yersinia pseudotuberculosis IP 32953) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTAQQLKYIKDSIKTIPDYPKAGILFRDVTSLLENPKAYSASIELLSEHY
SESGVTKVVGTEARGFLFGAPVALALGVGFVPVRKPGKLPRETISESYEL
EYGTDTLEIHTDSIQPGDKVLVVDDLLATGGTIEATVKLIRRLGGEVVHA
AFIINLPELGGEARLTQQGIHCYSLVSFDGH
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 chain5zc7 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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PDB5zc7 Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L31 F32 R33 L132 L162 H187
Binding residue
(residue number reindexed from 1)		L25 F26 R27 L126 L156 H181
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R70 E107
Catalytic site (residue number reindexed from 1) R64 E101
Enzyme Commision number 2.4.2.7: adenine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0003999 adenine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0006168 adenine salvage
GO:0009116 nucleoside metabolic process
GO:0044209 AMP salvage
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5zc7, PDBe:5zc7, PDBj:5zc7
PDBsum5zc7
PubMed
UniProtQ66DQ2|APT_YERPS Adenine phosphoribosyltransferase (Gene Name=apt)

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