Structure of PDB 5xoo Chain A Binding Site BS03

Receptor Information
>5xoo Chain A (length=349) Species: 6087 (Hydra vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNIHAWDVWHDMISVRALTVDSDVEIYKVLKAMSSAKITQATTGYKGTQL
KAMFSLDGPQIQNVVFKPKRYSRNKIILGTPYEGYDRHNAEIAAFHLDRL
LGFYRAPPVVGRYINLAAEVLPVAAKKLATTFIKDKDENLCFYGKCLYCN
RKEPACASNVTMEGALILWLPEKWPVLKLPHPWRRTYNKKMAKWETDSHY
CESVVIKEPYTKGPRLLDLIDTSIFDFLIGNADRHHYEYIENENGSMVIH
LDNAKSFGNPFVDEKSILSPLVQCCRLRSSTYNRLKIATSNENSLSVLLD
KRLSIDPIYPILTSDHLLALDRRLLLVQDAVEKCFKEKNKENVIIEDHL
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain5xoo Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xoo Structure and evolution of the Fam20 kinases
Resolution2.85 Å
Binding residue
(original residue number in PDB)		Y111 W235 E304 L317
Binding residue
(residue number reindexed from 1)		Y45 W169 E238 L251
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
Cellular Component
GO:0005794 Golgi apparatus
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xoo, PDBe:5xoo, PDBj:5xoo
PDBsum5xoo
PubMed29572475
UniProtT2MHS6

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