Structure of PDB 6nfe Chain A Binding Site BS01

Receptor Information
>6nfe Chain A (length=298) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STMMIFTGNANPELALKISSHLQIPIGKATVGTFSDGETMVEILENVRGK
DVFVLQSTCAPANNNLMELLIMADALRRSSAGRITAVVPYFGYARQDRRV
RSARVPITAKVVADMMASVGICRVLTVDLHADQIQGFFYMPVDNVYSTPV
LLEDITKQKLNNIMIVSPDVGGVVRARAVAKRLNDAELSIIDKRREVMHI
IGEPANKNCIIVDDIVDTAGTLCTAAHELKKNGAKSVRAYITHPVLSGPA
VNNIKHSGLDEVVVTDTIPLSAEAQNCEKIRVVSLADMLAQAIKRVNV
Ligand information
Ligand IDHSX
InChIInChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyKTVPXOYAKDPRHY-AIHAYLRMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C1O
CACTVS 3.341O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O
FormulaC5 H11 O8 P
Name5-O-phosphono-alpha-D-ribofuranose;
5-O-phosphono-alpha-D-ribose;
5-O-phosphono-D-ribose;
5-O-phosphono-ribose
ChEMBLCHEMBL605020
DrugBank
ZINCZINC000004096190
PDB chain6nfe Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nfe Crystal Structure of Ribose-phosphate Pyrophosphokinase from Legionella pneumophila with bound AMP, ADP, and Ribose-5-Phosphate
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H131 D220 D221 I222 D224 T225 A226 T228
Binding residue
(residue number reindexed from 1)		H130 D213 D214 I215 D217 T218 A219 T221
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.6.1: ribose-phosphate diphosphokinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004749 ribose phosphate diphosphokinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006015 5-phosphoribose 1-diphosphate biosynthetic process
GO:0006164 purine nucleotide biosynthetic process
GO:0009156 ribonucleoside monophosphate biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0016310 phosphorylation
GO:0044249 cellular biosynthetic process
Cellular Component
GO:0002189 ribose phosphate diphosphokinase complex
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6nfe, PDBe:6nfe, PDBj:6nfe
PDBsum6nfe
PubMed
UniProtQ5ZY30

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