Structure of PDB 2r8f Chain A Binding Site BS01

Receptor Information
>2r8f Chain A (length=307) Species: 36435 (Simian 11 rotavirus (serotype 3 / strain SA11-Ramig)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELACFCYPHLENDSYKFIPFNNLAIKAMLTAKVDKKDMDKFYDSIIYGI
APPPQFKKRYNTNDNSRGMNFETIMFTKVAMLICEALNSLKVTQANVSNV
LSRVVSIRHLENLVIRKENPQDILFHSKDLLLKSTLIAIGQSKEIETTIT
AEGGEIVFQNAAFTMWKLTYLEHQLMPILDQNFIEYKVTLNEDKPISDVH
VKELVAELRWQYNKFAVITHGKGAYRIVKYSSVANHADRVYATFKSNVND
FNLLDQRIIWQNWYAFTSSMKQGNTLDVCKRLLFQKMKPEKNPFKGLSTD
RKMDEVS
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 chain2r8f Chain A Residue 318 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r8f Crystallographic and Biochemical Analysis of Rotavirus NSP2 with Nucleotides Reveals a Nucleoside Diphosphate Kinase-Like Activity
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R210 K301 G302 S304
Binding residue
(residue number reindexed from 1)		R209 K295 G296 S298
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0004550 nucleoside diphosphate kinase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016817 hydrolase activity, acting on acid anhydrides
GO:0017111 ribonucleoside triphosphate phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0019079 viral genome replication
Cellular Component
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2r8f, PDBe:2r8f, PDBj:2r8f
PDBsum2r8f
PubMed17804496
UniProtQ03243|NSP2_ROTSR Non-structural protein 2

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