Structure of PDB 2b9i Chain A Binding Site BS03

Receptor Information
>2b9i Chain A (length=338) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPKRIVYNISSDFQLKSLLGEGAYGVVCSATHKPTGEIVAIKKIEPFDKP
LFALRTLREIKILKHFKHENIITIFNIQRPDSFENFNEVYIIQELMQTDL
HRVISTQMLSDDHIQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINSNCD
LKVCDFGLARIIDEVEFVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAE
LFLRRPIFPGRDYRHQLLLIFGIIGTPHSDNDLRCIESPRAREYIKSLPM
YPAAPLEKMFPRVNPKGIDLLQRMLVFDPAKRITAKEALEHPYLQTYHDP
NDEPEGEPIPPSFFEFDHYKEALTTKDLKKLIWNEIFS
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 chain2b9i Chain A Residue 500 [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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PDB2b9i The role of docking interactions in mediating signaling input, output, and discrimination in the yeast MAPK network.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L19 V27 A40 K42 M96 D99 S141 L144 C154 D155
Binding residue
(residue number reindexed from 1)		L19 V27 A40 K42 M96 D99 S141 L144 C154 D155
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D137 K139 N142 D155 T185
Catalytic site (residue number reindexed from 1) D137 K139 N142 D155 T170
Enzyme Commision number 2.7.11.24: mitogen-activated protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004707 MAP kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0042802 identical protein binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0000749 response to pheromone triggering conjugation with cellular fusion
GO:0000750 pheromone-dependent signal transduction involved in conjugation with cellular fusion
GO:0001403 invasive growth in response to glucose limitation
GO:0006468 protein phosphorylation
GO:0010526 retrotransposon silencing
GO:0016310 phosphorylation
GO:0035556 intracellular signal transduction
GO:0043409 negative regulation of MAPK cascade
GO:0046827 positive regulation of protein export from nucleus
GO:0051301 cell division
GO:0071507 pheromone response MAPK cascade
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0010494 cytoplasmic stress granule
GO:0042597 periplasmic space
GO:0043332 mating projection tip

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2b9i, PDBe:2b9i, PDBj:2b9i
PDBsum2b9i
PubMed16364919
UniProtP16892|FUS3_YEAST Mitogen-activated protein kinase FUS3 (Gene Name=FUS3)

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