Brand  (β version)

PDB ID: 6MDC

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
JEA 6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4h-pyrazolo[3,4-D]pyrimidin-4-one PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 6MDC   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
Release Data : 2019-02-13
Compound :
mol_id molecule chains synonym
1 Tyrosine-protein phosphatase non-receptor type 11 A,B Protein-tyrosine phosphatase 1D,PTP-1D,Protein-tyrosine phosphatase 2C,PTP-2C,SH-PTP2,Shp2,SH-PTP3
ec: 3.1.3.48
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PTPN11, PTP2C, SHPTP2
Authors : Fodor, M., Stams, T.
Keywords : SHP2, PTPN11, PROTEIN TYROSINE PHOSPHATASE, PHOSPHATASE, ALLOSTERIC INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.14 Å )
Citation :

Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.

Bagdanoff, J.T.,Chen, Z.,Acker, M.  et al.
(2019)  J. Med. Chem.  62 : 1781 - 1792

PubMed: 30688462
DOI: 10.1021/acs.jmedchem.8b01725

Reaction

Chain : A, B
UniProt : Q06124 (PTN11_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
H2O + O-phospho-L-tyrosyl-[protein] = L-tyrosyl-[protein] + phosphate 3.1.3.48 PROSITE- ProRule:PRU10044, PubMed:20170098, PubMed:26742426, PubMed:28074573
-