Structure of PDB 3ps5 Chain A Binding Site BS04

Receptor Information
>3ps5 Chain A (length=529) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVRWFHRDLSGLDAETLLKGRGVHGSFLARPSRKNQGDFSLSVRVGDQVT
HIRIQNSGDFYDLYGGEKFATLTELVEYYTQQQGVLQDRDGTIIHLKYPL
NCSDPTSERWYHGHMSGGQAETLLQAKGEPWTFLVRESLSQPGDFVLSVL
SDQPKAGPGSPLRVTHIKVMCEGGRYTVGGLETFDSLTDLVEHFKKTGIE
EASGAFVYLRQPYYATRVNAADIENRVLELNKKQESEDTAKAGFWEEFES
LQKQEVKNLHQRLEGQRPENKGKNRYKNILPFDHSRVILQGRDSNIPGSD
YINANYIKNQLLGPDENAKTYIASQGCLEATVNDFWQMAWQENSRVIVMT
TREVEKGRNKCVPYWPEVGMQRAYGPYSVTNCGEHDTTEYKLRTLQVSPL
DNGDLIREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQESLPHAGPII
VHSSAGIGRTGTIIVIDMLMENISTKGLDCDIDIQKTIQMVRAQRSGMVQ
TEAQYKFIYVAIAQFIETTKKKLEVLQSQ
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3ps5 Chain A Residue 599 [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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PDB3ps5 Crystal structure of human protein tyrosine phosphatase SHP-1 in the open conformation.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S453 A455 I457 G458 R459
Binding residue
(residue number reindexed from 1)		S453 A455 I457 G458 R459
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D419 S453 R459 T460 Q500
Catalytic site (residue number reindexed from 1) D419 S453 R459 T460 Q500
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0001784 phosphotyrosine residue binding
GO:0004721 phosphoprotein phosphatase activity
GO:0004725 protein tyrosine phosphatase activity
GO:0004726 non-membrane spanning protein tyrosine phosphatase activity
GO:0005001 transmembrane receptor protein tyrosine phosphatase activity
GO:0005515 protein binding
GO:0017124 SH3 domain binding
GO:0019901 protein kinase binding
GO:0042169 SH2 domain binding
GO:0050839 cell adhesion molecule binding
GO:0140031 phosphorylation-dependent protein binding
Biological Process
GO:0000165 MAPK cascade
GO:0000278 mitotic cell cycle
GO:0002244 hematopoietic progenitor cell differentiation
GO:0002924 negative regulation of humoral immune response mediated by circulating immunoglobulin
GO:0006470 protein dephosphorylation
GO:0007186 G protein-coupled receptor signaling pathway
GO:0008284 positive regulation of cell population proliferation
GO:0008285 negative regulation of cell population proliferation
GO:0016311 dephosphorylation
GO:0016525 negative regulation of angiogenesis
GO:0018108 peptidyl-tyrosine phosphorylation
GO:0019221 cytokine-mediated signaling pathway
GO:0030154 cell differentiation
GO:0030220 platelet formation
GO:0031295 T cell costimulation
GO:0032715 negative regulation of interleukin-6 production
GO:0032720 negative regulation of tumor necrosis factor production
GO:0033007 negative regulation of mast cell activation involved in immune response
GO:0033630 positive regulation of cell adhesion mediated by integrin
GO:0035335 peptidyl-tyrosine dephosphorylation
GO:0035556 intracellular signal transduction
GO:0035855 megakaryocyte development
GO:0042098 T cell proliferation
GO:0042110 T cell activation
GO:0042130 negative regulation of T cell proliferation
GO:0042267 natural killer cell mediated cytotoxicity
GO:0042981 regulation of apoptotic process
GO:0043409 negative regulation of MAPK cascade
GO:0045577 regulation of B cell differentiation
GO:0045824 negative regulation of innate immune response
GO:0050732 negative regulation of peptidyl-tyrosine phosphorylation
GO:0050852 T cell receptor signaling pathway
GO:0050853 B cell receptor signaling pathway
GO:0050859 negative regulation of B cell receptor signaling pathway
GO:0050860 negative regulation of T cell receptor signaling pathway
GO:0051279 regulation of release of sequestered calcium ion into cytosol
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0060338 regulation of type I interferon-mediated signaling pathway
GO:0070372 regulation of ERK1 and ERK2 cascade
GO:0070527 platelet aggregation
GO:0106015 negative regulation of inflammatory response to wounding
GO:0160162 CD27 signaling pathway
GO:1905867 epididymis development
GO:2000045 regulation of G1/S transition of mitotic cell cycle
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005911 cell-cell junction
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0035580 specific granule lumen
GO:0042105 alpha-beta T cell receptor complex
GO:0070062 extracellular exosome
GO:1904724 tertiary granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ps5, PDBe:3ps5, PDBj:3ps5
PDBsum3ps5
PubMed21465528
UniProtP29350|PTN6_HUMAN Tyrosine-protein phosphatase non-receptor type 6 (Gene Name=PTPN6)

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