3cwe Summary


PTP1B in complex with a phosphonic acid inhibitor

The structure was published by Han, Y., Belley, M., Bayly, C.I., et al., Chan, C.C., Scapin, G., and Kennedy, B.P., in 2008 in a paper entitled "Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.6 Å and deposited in 2008.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Tyrosine-protein phosphatase non-receptor type 1. This molecule has the UniProt identifier P18031 (PTN1_HUMAN)search. The sample contained 290 residues which is < 90% of the natural sequence. Out of 290 residues 284 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Tyrosine-protein phosphatase non-receptor type 1 P18031 (1-283) (PTN1_HUMAN)search Homo sapienssearch < 90% 290 98%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P18031 (1 - 283) Tyrosine-protein phosphatase non-receptor type 1 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A Protein tyrosine phosphatase superfamilysearch Protein-tyrosine phosphatasesearch

Chain ID Molecular function (GO) Biological process (GO)
A (P18031) protein tyrosine phosphatase activitysearch phosphatase activitysearch dephosphorylationsearch protein dephosphorylationsearch

Chain InterPro annotation
A Protein-tyrosine phosphatase, receptor/non-receptor typesearch Protein-tyrosine/Dual specificity phosphatasesearch Protein-tyrosine phosphatase, active sitesearch Protein-tyrosine phosphatase-likesearch