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PDBsum entry 2vey
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Contents |
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* Residue conservation analysis
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PDB id:
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Hydrolase
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Title:
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Crystal structure of protein tyrosine phosphatase 1b in complex with an isothiazolidinone-containing inhibitor
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Structure:
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Tyrosine-protein phosphatase non-receptor type 1. Chain: a. Fragment: residues 1-321. Synonym: protein-tyrosine phosphatase 1b, ptp-1b, protein tyrosine phosphatase 1b. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
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Resolution:
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2.20Å
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R-factor:
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0.208
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R-free:
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0.261
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Authors:
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B.Douty,B.Wayland,P.J.Ala,M.J.Bower,J.Pruitt,L.Bostrom,M.Wei,R.Klabe, L.Gonneville,R.Wynn,T.C.Burn,P.C.C.Liu,A.P.Combs,E.W.Yue
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Key ref:
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B.Douty
et al.
(2008).
Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.
Bioorg Med Chem Lett,
18,
66-71.
PubMed id:
DOI:
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Date:
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27-Oct-07
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Release date:
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06-Nov-07
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PROCHECK
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Headers
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References
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P18031
(PTN1_HUMAN) -
Tyrosine-protein phosphatase non-receptor type 1 from Homo sapiens
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Seq:
Struc:
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435 a.a.
298 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.3.1.3.48
- protein-tyrosine-phosphatase.
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Reaction:
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O-phospho-L-tyrosyl-[protein] + H2O = L-tyrosyl-[protein] + phosphate
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O-phospho-L-tyrosyl-[protein]
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+
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H2O
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=
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L-tyrosyl-[protein]
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+
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phosphate
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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DOI no:
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Bioorg Med Chem Lett
18:66-71
(2008)
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PubMed id:
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Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.
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B.Douty,
B.Wayland,
P.J.Ala,
M.J.Bower,
J.Pruitt,
L.Bostrom,
M.Wei,
R.Klabe,
L.Gonneville,
R.Wynn,
T.C.Burn,
P.C.Liu,
A.P.Combs,
E.W.Yue.
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ABSTRACT
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The structure-based design and synthesis of isothiazolidinone (IZD) inhibitors
of PTP1B containing imidazoles and imidazolines and their modification to
interact with the B site of PTP1B are described here. The X-ray crystal
structures of 3I and 4I complexed with PTP1B were solved and revealed the
inhibitors are interacting extensively with the B site of the enzyme.
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Links
