Structure of PDB 5yh3 Chain A Binding Site BS01

Receptor Information
>5yh3 Chain A (length=438) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSKLQALFAHPLYNVPEEPPLLGAEDSLLASQEALRYYRRKVARWNRRHK
MYREQMNLTSLDPPLQLRLEASWVQFHLGINRHGLYSRSSPVVSKLLQDM
RHFPTISADYSQDEKALLGACDCTQIVKPSGVHLKLVLRFSDFGKAMFKP
MRQQRDEETPVDFFYFIDFQRHNAEIAAFHLDRILDFRRVPPTVGRIVNV
TKEILEVTKNEILQSVFFVSPASNVCFFAKCPYMCKTEYAVCGKPHLLEG
SLSAFLPSLNLAPRLSVPNPWIRSYTLAGKEEWEVNPLYCDTVKQIYPYN
NSQRLLNVIDMAIFDFLIGNMDRHHYEMFTKFGDDGFLIHLDNARGFGRH
SHDEISILSPLSQCCMIKKKTLLHLQLLAQADYRLSDVMRESLLEDQLSP
VLTEPHLLALDRRLQTILRTVEGCIVAHGQQSVIVDGP
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 chain5yh3 Chain A Residue 701 [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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PDB5yh3 Structure and evolution of the Fam20 kinases
Resolution3.3 Å
Binding residue
(original residue number in PDB)		Y125 K129 K233 M235 P279 S341 F343 S346 R352
Binding residue
(residue number reindexed from 1)		Y37 K41 K145 M147 P191 S253 F255 S258 R264
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004674 protein serine/threonine kinase activity
GO:0005515 protein binding
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0043539 protein serine/threonine kinase activator activity
Biological Process
GO:0001934 positive regulation of protein phosphorylation
GO:0009617 response to bacterium
GO:0031214 biomineral tissue development
GO:0044691 tooth eruption
GO:0055074 calcium ion homeostasis
GO:0070166 enamel mineralization
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5yh3, PDBe:5yh3, PDBj:5yh3
PDBsum5yh3
PubMed29572475
UniProtQ96MK3|FA20A_HUMAN Pseudokinase FAM20A (Gene Name=FAM20A)

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