4BJO

Nitrate in the active site of PTP1b is a putative mimetic of the transition state

Summary for 4BJO

Entry DOI	10.2210/pdb4bjo/pdb
Descriptor	TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, CHLORIDE ION, MAGNESIUM ION, ... (6 entities in total)
Functional Keywords	hydrolase, phosphatase, transition state, quantum chemistry
Biological source	HOMO SAPIENS (HUMAN)
Total number of polymer chains	2
Total formula weight	79073.88
Authors	Kenny, P.W.,Newman, J.,Peat, T.S. (deposition date: 2013-04-19, release date: 2014-02-12, Last modification date: 2023-12-20)
Primary citation	Kenny, P.W.,Newman, J.,Peat, T.S. Nitrate in the Active Site of Protein Tyrosine Phosphatase 1B is a Putative Mimetic of the Transition State. Acta Crystallogr.,Sect.D, 70:565-, 2014 Cited by PubMed Abstract: The X-ray crystal structure of the complex of protein tyrosine phosphatase 1B with nitrate anion has been determined and modelled quantum-mechanically. Two protomers were present in the structure, one with the mechanistically important WPD loop closed and the other with this loop open. Nitrate was observed bound to each protomer, making close contacts with the S atom of the catalytic cysteine and a tyrosine residue from a crystallographically related protomer. PubMed: 24531490 DOI: 10.1107/S1399004713031052 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.06 Å)

Structure validation