Structure of PDB 1zar Chain A Binding Site BS02

Receptor Information
>1zar Chain A (length=267) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIAELYGKMGKHSWRIMDAIFKNLWDYEYVPLQLISSHARIGEEKARNIL
KYLSDLRVVQNRQKDYEGSTFTFIGLSLYSLHRLVRSGKVDAIGKLMGEG
KESAVFNCYSEKFGECVVKFHKVKVKEHFSVLAIRSARNEFRALQKLQGL
AVPKVYAWEGNAVLMELIDAKELYRVRVENPDEVLDMILEEVAKFYHRGI
VHGDLSQYNVLVSEEGIWIIDFPQSVEVGEEGWREILERDVRNIITYFSR
TYRTEKDINSAIDRILQ
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 chain1zar Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zar Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		M98 E103 S104 V118 K120 M179 I182 E186 I234 D235
Binding residue
(residue number reindexed from 1)		M97 E102 S103 V117 K119 M165 I168 E172 I220 D221
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
GO:0044024 histone H2AS1 kinase activity
GO:0046872 metal ion binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0030490 maturation of SSU-rRNA
Cellular Component
GO:0005829 cytosol
GO:0030688 preribosome, small subunit precursor

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zar, PDBe:1zar, PDBj:1zar
PDBsum1zar
PubMed15943813
UniProtO30245|RIO2_ARCFU RIO-type serine/threonine-protein kinase Rio2 (Gene Name=rio2)

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