Structure of PDB 1zao Chain A Binding Site BS04

Receptor Information
>1zao Chain A (length=271) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIAELYGKMGKHSWRIMDAIFKNLWDYEYVPLQLISSHARIGEEKARNI
LKYLSDLRVVQNRQKDYEGSTFTFIGLSLYSLHRLVRSGKVDAIGKLMGE
GKESAVFNCYSEKFGECVVKFHKVGHTKVKEFSVLAIRSARNEFRALQKL
QGLAVPKVYAWEGNAVLMELIDAKELYRVRVENPDEVLDMILEEVAKFYH
RGIVHGDLSQYNVLVSEEGIWIIDFPQSVEVGEEGWREILERDVRNIITY
FSRTYRTEKDINSAIDRILQE
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain1zao Chain A Residue 286 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1zao Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		M98 E103 S104 V118 K120 H122 H126 M179 E180 I182 E186 I234 D235 P237
Binding residue
(residue number reindexed from 1)		M98 E103 S104 V118 K120 H122 H126 M168 E169 I171 E175 I223 D224 P226
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:1zao, PDBe:1zao, PDBj:1zao
PDBsum1zao
PubMed15943813
UniProtO30245|RIO2_ARCFU RIO-type serine/threonine-protein kinase Rio2 (Gene Name=rio2)

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