1PSA

STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR

1PSA の概要

• エントリーDOI: 10.2210/pdb1psa/pdb
• 関連するBIRD辞書のPRD_ID: PRD_000378
• 分子名称: PEPSIN A, N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide (3 entities in total)
• 機能のキーワード: acid proteinase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Sus scrofa (pig)
• 細胞内の位置: Secreted: P00791
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 70110.54

構造登録者

Chen, L.,Abad-Zapatero, C. (登録日: 1991-10-22, 公開日: 1994-01-31, 最終更新日: 2024-10-30)

主引用文献

Chen, L.,Erickson, J.W.,Rydel, T.J.,Park, C.H.,Neidhart, D.,Luly, J.,Abad-Zapatero, C.
Structure of a pepsin/renin inhibitor complex reveals a novel crystal packing induced by minor chemical alterations in the inhibitor.
Acta Crystallogr.,Sect.B, 48:476-488, 1992

PubMed Abstract: The structure determination by molecular replacement methods of a monoclinic pepsin/renin inhibitor complex crystal, with two molecules in the asymmetric unit, is presented. The atomic model, consisting of two liganded pepsin molecules and 110 water molecules, has been refined to a final crystallographic R value of 0.139 for data between 8 and 2.9 A resolution. The structure reveals a previously undescribed pepsin dimer formed predominantly by polar interactions. Inhibitor binding induces global structural changes in the native enzyme similar, but not identical, to the ones observed in other chemically similar pepsin/renin inhibitor complexes crystallized in an orthorhombic form. A region of the polypeptide chain (residues 292-297) which was not visible in the orthorhombic crystal is well ordered in the presently described structure; possibly induced by crystal contacts. The crystal packing of native pepsin is compared with the two different crystal forms of the inhibited enzyme.

PubMed: 1418819
DOI: 10.1107/S0108768192001939

実験手法

X-RAY DIFFRACTION (2.9 Å)