Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T17427 | Target Info | |||
Target Name | Platelet glycoprotein Ib alpha (CD42b) | ||||
Synonyms | Platelet glycoprotein Ib alpha chain; Glycoprotein Ibalpha; Glycocalicin; GPIbalpha; GPIbA; GPIb-alpha; GPIb alpha; GP-Ib alpha; Antigen CD42balpha; Antigen CD42b-alpha | ||||
Target Type | Clinical trial Target | ||||
Gene Name | GP1BA | ||||
UniProt ID |
Ligand General Information | Top | ||||
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Ligand Name | tyrosine O-sulfate | Ligand Info | |||
Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)O | ||||
InChI | 1S/C9H11NO6S/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)(H,13,14,15)/t8-/m0/s1 | ||||
InChIKey | CIQHWLTYGMYQQR-QMMMGPOBSA-N | ||||
PubChem Compound ID | 514186 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 3PMH Mechanism of Sulfotyrosine-Mediated Glycoprotein Ib Interaction with Two Distinct alpha-Thrombin Sites | ||||||
Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [1] |
PDB Sequence |
HPICEVSKVA
10 SHLEVNCDKR20 NLTALPPDLP30 KDTTILHLSE40 NLLYTFSLAT50 LMPYTRLTQL 60 NLDRAELTKL70 QVDGTLPVLG80 TLDLSHNQLQ90 SLPLLGQTLP100 ALTVLDVSFN 110 RLTSLPLGAL120 RGLGELQELY130 LKGNELKTLP140 PGLLTPTPKL150 EKLSLANNNL 160 TELPAGLLNG170 LENLDTLLLQ180 ENSLYTIPKG190 FFGSHLLPFA200 FLHGNPWLCN 210 CEILYFRRWL220 QDNAENVYVW230 KQGVDVKAMT240 SNVASVQCDN250 SDKFPVYKYP 260 GKGCPTLGDE270 GDTDLDPEED283 T
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PDB ID: 1P8V CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A | ||||||
Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [2] |
PDB Sequence |
HPICEVSKVA
10 SHLEVNCDKR20 DLTALPPDLP30 KDTTILHLSE40 NLLYTFSLAT50 LMPYTRLTQL 60 NLDRCELTKL70 QVDGTLPVLG80 TLDLSHNQLQ90 SLPLLGQTLP100 ALTVLDVSFN 110 RLTSLPLGAL120 RGLGELQELY130 LKGNELKTLP140 PGLLTPTPKL150 EKLSLANNNL 160 TELPAGLLNG170 LENLDTLLLQ180 ENSLYTIPKG190 FFGSHLLPFA200 FLHGNPWLCN 210 CEILYFRRWL220 QDNAENVYVW230 KQGVDVKAMT240 SNVASVQCDN250 SDKFPVYKYP 260 GKGCPTLGDE270 GDTDLDY
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References | Top | ||||
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REF 1 | Binding of alpha-thrombin to surface-anchored platelet glycoprotein Ib(alpha) sulfotyrosines through a two-site mechanism involving exosite I. Proc Natl Acad Sci U S A. 2011 May 24;108(21):8628-33. | ||||
REF 2 | Crystal structure of the GpIbalpha-thrombin complex essential for platelet aggregation. Science. 2003 Jul 11;301(5630):222-6. |
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