4BJO

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

4BJO の概要

• エントリーDOI: 10.2210/pdb4bjo/pdb
• 分子名称: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, CHLORIDE ION, MAGNESIUM ION, ... (6 entities in total)
• 機能のキーワード: hydrolase, phosphatase, transition state, quantum chemistry
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 79073.88

構造登録者

Kenny, P.W.,Newman, J.,Peat, T.S. (登録日: 2013-04-19, 公開日: 2014-02-12, 最終更新日: 2023-12-20)

主引用文献

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

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

実験手法

X-RAY DIFFRACTION (2.06 Å)