Structure of PDB 6f3f Chain A Binding Site BS01

Receptor Information
>6f3f Chain A (length=449) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTG
YIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETT
KGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYY
SKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGE
VWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVS
EEPIYIVTEYMNKGSLLDFLKGETGKYLRLPQLVDMSAQIASGMAYVERM
NYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTA
PEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYR
MPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQP
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 chain6f3f 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6f3f A switch in nucleotide affinity governs activation of the Src and Tec family kinases.
Resolution2.41796 Å
Binding residue
(original residue number in PDB)		L273 V281 A293 K295 Y340 M341 A390 L393
Binding residue
(residue number reindexed from 1)		L193 V201 A213 K215 Y260 M261 A310 L313
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=4.52,Ki=30uM
Enzymatic activity
Catalytic site (original residue number in PDB) D386 A390 N391 D404
Catalytic site (residue number reindexed from 1) D306 A310 N311 D324
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:6f3f, PDBe:6f3f, PDBj:6f3f
PDBsum6f3f
PubMed29234112
UniProtP05480|SRC_MOUSE Proto-oncogene tyrosine-protein kinase Src (Gene Name=Src)

[Back to BioLiP]