Structure of PDB 8xn8 Chain A Binding Site BS01

Receptor Information
>8xn8 Chain A (length=450) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYI
PSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKG
AYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSK
HADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVW
MGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEE
PIYIVTEYMNKGSLLDFLKGETGKYLRLPQLVDMSAQIASGMAYVERMNY
VHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPE
AALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMP
CPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGEN
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 chain8xn8 Chain A Residue 601 [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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PDB8xn8 The Crystal Structure of SRC from Biortus.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L275 G278 V283 A295 K297 M343 R390 N393 L395
Binding residue
(residue number reindexed from 1)		L191 G194 V199 A211 K213 M259 R306 N309 L311
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:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8xn8, PDBe:8xn8, PDBj:8xn8
PDBsum8xn8
PubMed
UniProtP05480|SRC_MOUSE Proto-oncogene tyrosine-protein kinase Src (Gene Name=Src)

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