Structure of PDB 4gyi Chain A Binding Site BS01

Receptor Information
>4gyi Chain A (length=339) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLDTRAMRHLTAEDWRVLTAVEMGSKNHEIVPTPLIEKIARLRGGSSGVH
KSIATLAKAGLIARMKEAKYDGYRLTYGGLDYLALHTHAARKDVYSVGSR
IGVGKESDIMIVADEKGKQKVLKIHRLGRISFRTVKRDYLRNRSTGSWMY
LSRLAAIKEFAFMKALYEEGFPVPEPIAQSRHTIVMSLVDALPMRQVSSV
PDPASLYADLIALILRLAKHGLIHGDFNEFNILIREEKDAEDPSSITLTP
IIIDFPQMVSMDHPNAEMYFDRDVQCIKRFFERRFHFVSTTPGPFYKDAK
KTVGKDGAKRLDAALEASGFTKKMAKDLEAAIREQQESR
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 chain4gyi 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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PDB4gyi ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S108 I110 K124 M189 V192 I256 X257
Binding residue
(residue number reindexed from 1)		S107 I109 K123 M186 V189 I253 X254
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
Biological Process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0030490 maturation of SSU-rRNA
Cellular Component
GO:0005634 nucleus
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:4gyi, PDBe:4gyi, PDBj:4gyi
PDBsum4gyi
PubMed23104056
UniProtG0S5R3

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