Structure of PDB 2shp Chain A Binding Site BS01

Receptor Information
>2shp Chain A (length=491) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDLTLSVRRNGAV
THIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYP
LNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSV
RTGDNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETL
GTVLQLKQPLNTTRINAAEIESRVRELSKGFWEEFETLQQQECKLLYSRK
EGQRQENKNKNRYKNILPFDHTRVVLHDSDYINANIIMPKKSYIATQGCL
QNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMR
VRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGG
VLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGV
DCDIDVPKTIQMVRSQRSGMVQTEAQYRSIYMAVQHYIETL
Ligand information
Ligand IDCAT
InChIInChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
InChIKeyVICYBMUVWHJEFT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCC[N+](C)(C)C
ACDLabs 10.04C(CCCC[N+](C)(C)C)CCCCCCC
FormulaC15 H34 N
NameDODECANE-TRIMETHYLAMINE
ChEMBLCHEMBL1180004
DrugBankDB02779
ZINCZINC000001673414
PDB chain2shp Chain A Residue 1800 [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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PDB2shp Crystal structure of the tyrosine phosphatase SHP-2.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F420 W423 P429 V435 F438 F469 S513
Binding residue
(residue number reindexed from 1)		F386 W389 P395 V401 F404 F435 S479
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D425 C459 R465 T466 Q506
Catalytic site (residue number reindexed from 1) D391 C425 R431 T432 Q472
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation
GO:0016311 dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2shp, PDBe:2shp, PDBj:2shp
PDBsum2shp
PubMed9491886
UniProtQ06124|PTN11_HUMAN Tyrosine-protein phosphatase non-receptor type 11 (Gene Name=PTPN11)

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