Structure of PDB 2qyq Chain A Binding Site BS01

Receptor Information
>2qyq Chain A (length=186) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRP
TSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNDISSG
TVLSDYVGSGPPKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFK
VASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLSG
Ligand information
Ligand IDPTR
InChIInChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKeyDCWXELXMIBXGTH-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
ACDLabs 10.04O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
FormulaC9 H12 N O6 P
NameO-PHOSPHOTYROSINE;
PHOSPHONOTYROSINE
ChEMBLCHEMBL286939
DrugBankDB01962
ZINCZINC000001530464
PDB chain2qyq Chain A Residue 829 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qyq Phosphotyrosine recognition by the Raf Kinase Inhibitor Protein
Resolution1.948 Å
Binding residue
(original residue number in PDB)		D70 W84 H86 G110 H118 Y120 Y181 L184
Binding residue
(residue number reindexed from 1)		D70 W84 H86 G110 H118 Y120 Y181 L184
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008289 lipid binding
GO:0008429 phosphatidylethanolamine binding
GO:0019899 enzyme binding
GO:0019901 protein kinase binding
Biological Process
GO:0010466 negative regulation of peptidase activity
GO:0043409 negative regulation of MAPK cascade
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qyq, PDBe:2qyq, PDBj:2qyq
PDBsum2qyq
PubMed
UniProtP30086|PEBP1_HUMAN Phosphatidylethanolamine-binding protein 1 (Gene Name=PEBP1)

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