Structure of PDB 3mbi Chain A Binding Site BS03

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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3mbi Chain A Residue 288 [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)		R91 Q92 Y96 H124 K184 R186
Binding residue
(residue number reindexed from 1)		R93 Q94 Y98 H126 K186 R188
Annotation score4
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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