Structure of PDB 3mbi Chain A Binding Site BS01

Receptor Information
>3mbi Chain A (length=287) Species: 50339 (Thermoplasma volcanium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGMKIIALRSSLKLAARIAEELKTEPVMPDERRFPDGELYLRYDEDLTGH
NIFIIGNTHSDAEVMEMILTLSAIQDYRTKSVNIIAPYYGYARQHQRYKN
GEPISSQILTEIYSSYSNSIATVDIHDEKTLSYSKVKFSDLHANDAIVRY
YKNVDVDYVVSPDDGGLARVADISAKLGKKHFFIEKKRIDDRTVEMKVPN
VDVNGKKLLIVDDIISTGGTIAKSSGLLREKGASKIYVSAVHGLFVNGSE
NKILQNADEIHVTDTVESKFSDISVYQEVCNYIRDID
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3mbi Chain A Residue 286 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mbi The structures of Thermoplasma volcanium phosphoribosyl pyrophosphate synthetase bound to ribose-5-phosphate and ATP analogs.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R186 S214 T215 G216 T218
Binding residue
(residue number reindexed from 1)		R188 S216 T217 G218 T220
Annotation score1
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:0009165 nucleotide biosynthetic process
GO:0016310 phosphorylation
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:3mbi, PDBe:3mbi, PDBj:3mbi
PDBsum3mbi
PubMed21963988
UniProtQ97CA5|KPRS_THEVO Ribose-phosphate pyrophosphokinase (Gene Name=prs)

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