User:Boghog/Sandbox6: Difference between revisions

Boghog/Sandbox6
Clinical data
ATC code	D06AX01 (WHO) D09AA02 (WHO) J01XC01 (WHO);
Pharmacokinetic data
Bioavailability	91% oral bioavailability
Protein binding	97 to 99%
Elimination half-life	Approximately 5 to 6 hours in adults
Identifiers
	IUPAC name 2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)- 13-(acetyloxy)-5,17-dihydroxy-2,6,10,11- tetramethyltetracyclo[8.7.0.02,7.011,15] heptadecan-14-ylidene]-6-methylhept-5-enoic acid;
CAS Number	6990-06-3;
PubChem CID	3000226;
DrugBank	DB02703 ;
ChemSpider	2271900 ;
UNII	59XE10C19C;
ChEBI	CHEBI:29013 ;
ChEMBL	ChEMBL374975 ;
Chemical and physical data
Formula	C31H48O6
Molar mass	516.709 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(O)/C(=C3/[C@@H]2C[C@@H](O)[C@H]1[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]1([C@]2(C[C@@H]3OC(=O)C)C)C)CC\C=C(/C)C;
	InChI InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 ; Key:IECPWNUMDGFDKC-MZJAQBGESA-N ;
	(verify)

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Revision as of 05:01, 13 October 2011

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+{{drugbox
-{{PBB|geneid=26191}}
+| verifiedrevid = 443829931
-'''Protein tyrosine phosphatase, non-receptor type 22 (lymphoid)''', also known as '''PTPN22''', is a [[protein]] which in humans is encoded by the ''PTPN22'' [[gene]].<ref name="entrez">{{cite web | title = Entrez Gene: PTPN22 protein tyrosine phosphatase, non-receptor type 22 (lymphoid)| url = http://www.ncbi.nlm.nih.gov/sites/entrez?Db=gene&Cmd=ShowDetailView&TermToSearch=26191| accessdate = }}</ref><ref name="pmid1373816">{{cite journal | author = Matthews RJ, Bowne DB, Flores E, Thomas ML | title = Characterization of hematopoietic intracellular protein tyrosine phosphatases: description of a phosphatase containing an SH2 domain and another enriched in proline-, glutamic acid-, serine-, and threonine-rich sequences | journal = Mol. Cell. Biol. | volume = 12 | issue = 5 | pages = 2396–405 | year = 1992 | month = May | pmid = 1373816 | pmc = 364412 | doi = | url = http://mcb.asm.org/cgi/content/abstract/12/5/2396 }}</ref><ref name="pmid10068674">{{cite journal | author = Cohen S, Dadi H, Shaoul E, Sharfe N, Roifman CM | title = Cloning and characterization of a lymphoid-specific, inducible human protein tyrosine phosphatase, Lyp | journal = Blood | volume = 93 | issue = 6 | pages = 2013–24 | year = 1999 | month = March | pmid = 10068674 | doi = | url =  http://bloodjournal.hematologylibrary.org/cgi/content/abstract/bloodjournal;93/6/2013 }}</ref> [[Alternative splicing]] of this gene results in two transcript variants encoding distinct [[protein isoform|isoforms]].
+| image = Fusidic acid structure.svg|150px
+| IUPAC_name = 2-[(1''S'',2''S'',5''R'',6''S'',7''S'',10''S'',11''S'',13''S'',14''Z'',15''R'',17''R'')-
-==Molecular biology==
+-(acetyloxy)-5,17-dihydroxy-2,6,10,11-
+tetramethyltetracyclo[8.7.0.0<sup>2,7</sup>.0<sup>11,15</sup>]
-The gene is located on the short arm of Chromosome 1 near the [[telomere]] (1p13.2) on the Crick (minus) strand. It is 57,898  bases in length and encodes a protein of 807 amino acids (molecular weight 91,705 Da). There are 24 [[exon]]s in the gene and 21 transcript variants encoding 10 distinct proteins are known. The proteins are located in the [[cytoplasm]].
+heptadecan-14-ylidene]-6-methylhept-5-enoic acid
+| CASNo_Ref = {{cascite|correct|CAS}}
-==Function==
+| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
+| ChemSpiderID = 2271900
-This gene encodes a [[protein tyrosine phosphatase]] which is expressed primarily in [[lymphatic system#Lymphoid tissue |lymphoid tissue]]s. This enzyme is involved in several signalling pathways associated with the immune response.  Based on models of the murine phosphatase<ref name="pmid8890164">{{pmid|8890164}}</ref><ref name="pmid9582365">{{pmid|9582365}}</ref><ref name="pmid11685249">{{pmid|11685249}}</ref><ref name="pmid17729039">{{pmid|17729039}}</ref> the phosphatase forms complexes with [[C-src_tyrosine_kinase]], aka Csk,  associated with the control of Src family members.
+| UNII_Ref = {{fdacite|correct|FDA}}
-In addition, there are suggestions that the phosphatase regulates CBL function in the [[T cell]] receptor signaling pathway.<ref name="entrez" />  Other interactions are likely.
+| UNII = 59XE10C19C
+| InChI = 1/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
-==Disease association==
+| smiles = O=C(O)/C(=C3/[C@@H]2C[C@@H](O)[C@H]1[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]1([C@]2(C[C@@H]3OC(=O)C)C)C)CC\C=C(/C)C
-The common 1858T (rs2476601) nonsynonymous [[single nucleotide polymorphism]] located in the ''PTPN22'' gene has been associated with a range of autoimmune disorders, including [[Type 1 Diabetes]], [[rheumatoid arthritis]], [[Systemic Lupus Erythematosus]] and [[Graves' disease]].
+| InChIKey = IECPWNUMDGFDKC-MZJAQBGEBS
-<ref name="pmid15719322">{{cite journal | author = Criswell LA, Pfeiffer KA, Lum RF, Gonzales B, Novitzke J, Kern M, Moser KL, Begovich AB, Carlton VE, Li W, Lee AT, Ortmann W, Behrens TW, Gregersen PK | title = Analysis of Families in the Multiple Autoimmune Disease Genetics Consortium (MADGC) Collection: the PTPN22 620W Allele Associates with Multiple Autoimmune Phenotypes | journal = Am. J. Hum. Genet. | volume = 76 | issue = 4 | pages = 561–71 | year = 2005 | month = April | pmid = 15719322 | pmc = 1199294 | doi = 10.1086/429096 | url =  }}</ref>
+| ChEMBL_Ref = {{ebicite|correct|EBI}}
-<ref name="pmid15744042">{{cite journal | author = Qu H, Tessier MC, Hudson TJ, Polychronakos C | title = Confirmation of the association of the R620W polymorphism in the protein tyrosine phosphatase PTPN22 with type 1 diabetes in a family based study | journal = J. Med. Genet. | volume = 42 | issue = 3 | pages = 266–70 | year = 2005 | month = March | pmid = 15744042 | pmc = 1736025 | doi = 10.1136/jmg.2004.026971 | url =  }}</ref>
+| ChEMBL = 374975
-<ref name="pmid16273109">{{cite journal | author = Vang T, Congia M, Macis MD, Musumeci L, Orrú V, Zavattari P, Nika K, Tautz L, Taskén K, Cucca F, Mustelin T, Bottini N | title = Autoimmune-associated lymphoid tyrosine phosphatase is a gain-of-function variant | journal = Nat. Genet. | volume = 37 | issue = 12 | pages = 1317–9 | year = 2005 | month = December | pmid = 16273109 | doi = 10.1038/ng1673 | url =  }}</ref>
+| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
+| StdInChI = 1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1
-A recent study suggests that the mutation does not, on a population basis, reduce life span.<ref name="pmid16273109">{{pmid|21113673}}</ref> The mutation may be  conserved in human evolution because it may provide a hyper-immune response to infectious disease .
+| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
+| StdInChIKey = IECPWNUMDGFDKC-MZJAQBGESA-N
-==References==
+| CAS_number = 6990-06-3
-{{Reflist|2}}
+| ATC_prefix = D06
+| ATC_suffix = AX01
-==Further reading==
+| ATC_supplemental={{ATC|D09|AA02}} {{ATC|J01|XC01}}
-{{refbegin | 2}}
+| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
-*{{cite journal  | author=Gregersen PK |title=Pathways to gene identification in rheumatoid arthritis: PTPN22 and beyond |journal=Immunol. Rev. |volume=204 |issue=  |pages= 74–86 |year= 2005 |pmid= 15790351 |doi= 10.1111/j.0105-2896.2005.00243.x }}
+| DrugBank = DB02703
-*{{cite journal  | author=Brand O, Gough S, Heward J |title=HLA , CTLA-4 and PTPN22 : the shared genetic master-key to autoimmunity? |journal=Expert reviews in molecular medicine |volume=7 |issue= 23 |pages= 1–15 |year= 2007 |pmid= 16229750 |doi= 10.1017/S1462399405009981 }}
+| ChEBI_Ref = {{ebicite|correct|EBI}}
-*{{cite journal  | author=Bottini N, Vang T, Cucca F, Mustelin T |title=Role of PTPN22 in type 1 diabetes and other autoimmune diseases |journal=Semin. Immunol. |volume=18 |issue= 4 |pages= 207–13 |year= 2007 |pmid= 16697661 |doi= 10.1016/j.smim.2006.03.008 }}
+| ChEBI = 29013
-*{{cite journal  | author=Matthews RJ, Bowne DB, Flores E, Thomas ML |title=Characterization of hematopoietic intracellular protein tyrosine phosphatases: description of a phosphatase containing an SH2 domain and another enriched in proline-, glutamic acid-, serine-, and threonine-rich sequences |journal=Mol. Cell. Biol. |volume=12 |issue= 5 |pages= 2396–405 |year= 1992 |pmid= 1373816 |doi=  | pmc=364412  }}
+| PubChem = 3000226
-*{{cite journal  | author=Gregorieff A, Cloutier JF, Veillette A |title=Sequence requirements for association of protein-tyrosine phosphatase PEP with the Src homology 3 domain of inhibitory tyrosine protein kinase p50(csk) |journal=J. Biol. Chem. |volume=273 |issue= 21 |pages= 13217–22 |year= 1998 |pmid= 9582365 |doi=10.1074/jbc.273.21.13217  }}
+| C=31 | H=48 | O=6
-*{{cite journal  | author=Cohen S, Dadi H, Shaoul E, ''et al.'' |title=Cloning and characterization of a lymphoid-specific, inducible human protein tyrosine phosphatase, Lyp |journal=Blood |volume=93 |issue= 6 |pages= 2013–24 |year= 1999 |pmid= 10068674 |doi=  }}
+| molecular_weight = 516.709
-*{{cite journal  | author=Gjörloff-Wingren A, Saxena M, Han S, ''et al.'' |title=Subcellular localization of intracellular protein tyrosine phosphatases in T cells |journal=Eur. J. Immunol. |volume=30 |issue= 8 |pages= 2412–21 |year= 2000 |pmid= 10940933 |doi=10.1002/1521-4141(2000)30:8<2412::AID-IMMU2412>3.0.CO;2-J  }}
+| bioavailability = 91% oral bioavailability
-*{{cite journal  | author=Hill RJ, Zozulya S, Lu YL, ''et al.'' |title=The lymphoid protein tyrosine phosphatase Lyp interacts with the adaptor molecule Grb2 and functions as a negative regulator of T-cell activation |journal=Exp. Hematol. |volume=30 |issue= 3 |pages= 237–44 |year= 2002 |pmid= 11882361 |doi=10.1016/S0301-472X(01)00794-9  }}
+| elimination_half-life = Approximately 5 to 6 hours in adults
-*{{cite journal  | author=Strausberg RL, Feingold EA, Grouse LH, ''et al.'' |title=Generation and initial analysis of more than 15,000 full-length human and mouse cDNA sequences |journal=Proc. Natl. Acad. Sci. U.S.A. |volume=99 |issue= 26 |pages= 16899–903 |year= 2003 |pmid= 12477932 |doi= 10.1073/pnas.242603899  | pmc=139241 }}
+| protein_bound = 97 to 99%
-*{{cite journal  | author=Chien W, Tidow N, Williamson EA, ''et al.'' |title=Characterization of a myeloid tyrosine phosphatase, Lyp, and its role in the Bcr-Abl signal transduction pathway |journal=J. Biol. Chem. |volume=278 |issue= 30 |pages= 27413–20 |year= 2003 |pmid= 12764153 |doi= 10.1074/jbc.M304575200 }}
+}}
-*{{cite journal  | author=Bottini N, Musumeci L, Alonso A, ''et al.'' |title=A functional variant of lymphoid tyrosine phosphatase is associated with type I diabetes |journal=Nat. Genet. |volume=36 |issue= 4 |pages= 337–8 |year= 2004 |pmid= 15004560 |doi= 10.1038/ng1323 }}
-*{{cite journal  | author=Begovich AB, Carlton VE, Honigberg LA, ''et al.'' |title=A Missense Single-Nucleotide Polymorphism in a Gene Encoding a Protein Tyrosine Phosphatase (PTPN22) Is Associated with Rheumatoid Arthritis |journal=Am. J. Hum. Genet. |volume=75 |issue= 2 |pages= 330–7 |year= 2004 |pmid= 15208781 |doi= 10.1086/422827  | pmc=1216068 }}
-*{{cite journal  | author=Kyogoku C, Langefeld CD, Ortmann WA, ''et al.'' |title=Genetic Association of the R620W Polymorphism of Protein Tyrosine Phosphatase PTPN22 with Human SLE |journal=Am. J. Hum. Genet. |volume=75 |issue= 3 |pages= 504–7 |year= 2004 |pmid= 15273934 |doi= 10.1086/423790  | pmc=1182029 }}
-*{{cite journal  | author=Smyth D, Cooper JD, Collins JE, ''et al.'' |title=Replication of an association between the lymphoid tyrosine phosphatase locus (LYP/PTPN22) with type 1 diabetes, and evidence for its role as a general autoimmunity locus |journal=Diabetes |volume=53 |issue= 11 |pages= 3020–3 |year= 2005 |pmid= 15504986 |doi=10.2337/diabetes.53.11.3020  }}
-*{{cite journal  | author=Ladner MB, Bottini N, Valdes AM, Noble JA |title=Association of the single nucleotide polymorphism C1858T of the PTPN22 gene with type 1 diabetes |journal=Hum. Immunol. |volume=66 |issue= 1 |pages= 60–4 |year= 2005 |pmid= 15620463 |doi= 10.1016/j.humimm.2004.09.016 }}
-*{{cite journal  | author=Orozco G, Sánchez E, González-Gay MA, ''et al.'' |title=Association of a functional single-nucleotide polymorphism of PTPN22, encoding lymphoid protein phosphatase, with rheumatoid arthritis and systemic lupus erythematosus |journal=Arthritis Rheum. |volume=52 |issue= 1 |pages= 219–24 |year= 2005 |pmid= 15641066 |doi= 10.1002/art.20771 }}
-*{{cite journal  | author=Steer S, Lad B, Grumley JA, ''et al.'' |title=Association of R602W in a protein tyrosine phosphatase gene with a high risk of rheumatoid arthritis in a British population: evidence for an early onset/disease severity effect |journal=Arthritis Rheum. |volume=52 |issue= 1 |pages= 358–60 |year= 2005 |pmid= 15641088 |doi= 10.1002/art.20737 }}
-*{{cite journal  | author=Zheng W, She JX |title=Genetic association between a lymphoid tyrosine phosphatase (PTPN22) and type 1 diabetes |journal=Diabetes |volume=54 |issue= 3 |pages= 906–8 |year= 2005 |pmid= 15734872 |doi=10.2337/diabetes.54.3.906  }}
-*{{cite journal  | author=Zhernakova A, Eerligh P, Wijmenga C, ''et al.'' |title=Differential association of the PTPN22 coding variant with autoimmune diseases in a Dutch population |journal=Genes Immun. |volume=6 |issue= 6 |pages= 459–61 |year= 2005 |pmid= 15875058 |doi= 10.1038/sj.gene.6364220 }}
-{{refend}}
-{{PDB Gallery|geneid=26191}}
-{{Protein tyrosine phosphatases}}
-{{gene-1-stub}}