Structure of PDB 5xoo Chain B Binding Site BS01

Receptor Information
>5xoo Chain B (length=351) Species: 6087 (Hydra vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYFNIHAWDVWHDMISVRALTVDSDVEIYKVLKAMSSAKITQATTGYKGT
QLKAMFSLDGPQIQNVVFKPKRYSRNKIILGTPYEGYDRHNAEIAAFHLD
RLLGFYRAPPVVGRYINLAAEVLPVAAKKLATTFIKDKDENLCFYGKCLY
CNRKEPACASNVTMEGALILWLPEKWPVLKLPHPWRRTYNKKMAKWETDS
HYCESVVIKEPYTKGPRLLDLIDTSIFDFLIGNADRHHYEYIENENGSMV
IHLDNAKSFGNPFVDEKSILSPLVQCCRLRSSTYNRLKIATSNENSLSVL
LDKRLSIDPIYPILTSDHLLALDRRLLLVQDAVEKCFKEKNKENVIIEDH
L
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 B Residue 503 [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)		L234 W235 L236 E304 L317
Binding residue
(residue number reindexed from 1)		L170 W171 L172 E240 L253
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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