ジャーナル: To be Published タイトル: A Study of the Chiral Recognition Mechanisms of Cellobiohydrolase Cel7A for Ligands Based on the Beta-Blocker Motif: Crystal Structures, Microcalorimetry and Computational Modelling of ...タイトル: A Study of the Chiral Recognition Mechanisms of Cellobiohydrolase Cel7A for Ligands Based on the Beta-Blocker Motif: Crystal Structures, Microcalorimetry and Computational Modelling of Cel7A-Inhibitor Complexes. 著者: Fagerstrom, A. / Liljefors, T. / Stahlberg, J. / Sandgren, M. / Berg, U. / Isaksson, R.
履歴
登録
2007年6月18日
登録サイト: PDBE / 処理サイト: PDBE
改定 1.0
2008年7月1日
Provider: repository / タイプ: Initial release
改定 1.1
2011年5月8日
Group: Version format compliance
改定 1.2
2011年7月13日
Group: Version format compliance
改定 1.3
2019年1月30日
Group: Data collection / Experimental preparation / Other カテゴリ: exptl_crystal_grow / pdbx_database_proc / pdbx_database_status Item: _exptl_crystal_grow.method / _pdbx_database_status.recvd_author_approval
SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
解像度: 1.05→26.82 Å / Cor.coef. Fo:Fc: 0.982 / Cor.coef. Fo:Fc free: 0.979 / 交差検証法: THROUGHOUT / ESU R: 0.024 / ESU R Free: 0.024 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ELONGATED DENSITY IN SOME REGIONS INDICATE TWO DISCRETE PROTEIN CONFORMATIONS. ALTERNATE CONFORMATIONS WER MODELLED FOR RESIDUES A 7, 13-20, ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ELONGATED DENSITY IN SOME REGIONS INDICATE TWO DISCRETE PROTEIN CONFORMATIONS. ALTERNATE CONFORMATIONS WER MODELLED FOR RESIDUES A 7, 13-20, 25-30, 47, 55, 80, 85- 92, 111 114, 140, 158, 194-197, 215, 249-254, 259, 266, 272, 293, 328, 342, 357, 407, 409.
Rfactor
反射数
%反射
Selection details
Rfree
0.14
8808
5 %
RANDOM
Rwork
0.119
-
-
-
obs
0.12
166415
99.2 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK