Structure of PDB 7t6f Chain B Binding Site BS01

Receptor Information
>7t6f Chain B (length=1045) 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
INKLEEQNPDIVTEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDN
TGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICMEDGGN
GIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAIQICKGMDYLGSRQYV
HRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAP
ECLIQCKFYIASDVWSFGVTLHELLTYCDSDFSPMALFLMTVTRLVNTLK
EGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTTFQNLIEGFEALLK
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 chain7t6f Chain B Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t6f Structure of a Janus kinase cytokine receptor complex reveals the basis for dimeric activation.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		V669 L720
Binding residue
(residue number reindexed from 1)		V576 L627
Annotation score3
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t6f, PDBe:7t6f, PDBj:7t6f
PDBsum7t6f
PubMed35271300
UniProtP52332|JAK1_MOUSE Tyrosine-protein kinase JAK1 (Gene Name=Jak1)

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