Structure of PDB 8ewy Chain A Binding Site BS01

Receptor Information
>8ewy Chain A (length=1049) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEPGVEVTFYLLDREPLRLGSGEYTAEELCIRAAQECSISPLCHNLFALY
DESTKLWYAPNRIITVDDKTSLRLHYRMRFYFTNWHGTNDNEQSVWRHSP
KEATPLLDASSLEYLFAQGQYDLIKCLAPIRDPKTEQDGHDIENECLGMA
VLAISHYAMMKKMQLPELPKDISYKRYIPETLNKSIRQRNLLTRMRINNV
FKDFLKEFNNKTICDSSVSTHDLKVKYLATLETLTKHYGAEIFETSMLLI
SSENELSRCHSNDSGNVLYEVMVTGNLGIQWRQKPNEEWNNFSYFPEITH
IVIKESVVSINKQDNKNMELKLSSREEALSFVSLVDGYFRLTADAHHYLC
TDVAPPLIVHNIQNGCHGPICTEYAINKLRQEGSEEGMYVLRWSCTDFDN
ILMTVTKQFKNFQIEVQKGRYSLHGSMDHFPSLRDLMNHLKKQILRTDNI
SFVLKRCCQPKPREISNLLVATKKAQEWQPVYSMSQLSFDRILKKDIIQG
EHLGRGTRTHIYSGTLLDYEKKIKVILKVLDPSHRDISLAFFEAASMMRQ
VSHKHIVYLYGVCFRDVENIMVEEFVEGGPLDLFMHRKSDALTTPWKFKV
AKQLASALSYLEDKDLVHGNVCTKNLLLAREGIDSDIGPFIKLSDPGIPV
SVLTRQECIERIPWIAPECVEDSKNLSVAADKWSFGTTLWEICYNGEIPL
KDKTLIEKERFYESRCRPVTPSCKELADLMTRCMNYDPNQRPFFRAIMRD
INKLEEQNPDIVTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQV
AVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICMEDGGNGIKLI
MEFLPSGSLKEYLPKNKNKINLKQQLKYAIQICKGMDYLGSRQYVHRDLA
ARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLIQ
CKFYIASDVWSFGVTLHELLTYCDSDFSPMALFLKMIGPTHGQMTVTRLV
NTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTTFQNLIEGFEALLK
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 chain8ewy Chain A Residue 1202 [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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PDB8ewy Structural basis of Janus kinase trans-activation.
Resolution5.5 Å
Binding residue
(original residue number in PDB)		L880 G881 A905 E956 F957 L958 D1020
Binding residue
(residue number reindexed from 1)		L776 G777 A801 E852 F853 L854 D916
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0004715 non-membrane spanning protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0035556 intracellular signal transduction
Cellular Component
GO:0005856 cytoskeleton
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ewy, PDBe:8ewy, PDBj:8ewy
PDBsum8ewy
PubMed36867534
UniProtP52332|JAK1_MOUSE Tyrosine-protein kinase JAK1 (Gene Name=Jak1)

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