4MAU

Crystal structure of anti-ST2L antibody C2244

4MAU の概要

• エントリーDOI: 10.2210/pdb4mau/pdb
• 分子名称: C2244 light chain, C2244 heavy chain, GLYCEROL, ... (6 entities in total)
• 機能のキーワード: immunoglobulin fold, antibody, immune system
• 由来する生物種: Mus musculus, Homo sapiens (mouse, human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 48811.04

構造登録者

Teplyakov, A.,Obmolova, G.,Malia, T.,Gilliland, G.L. (登録日: 2013-08-16, 公開日: 2014-03-26, 最終更新日: 2024-11-20)

主引用文献

Teplyakov, A.,Luo, J.,Obmolova, G.,Malia, T.J.,Sweet, R.,Stanfield, R.L.,Kodangattil, S.,Almagro, J.C.,Gilliland, G.L.
Antibody modeling assessment II. Structures and models.
Proteins, 82:1563-1582, 2014

PubMed Abstract: To assess the state-of-the-art in antibody structure modeling, a blinded study was conducted. Eleven unpublished Fab crystal structures were used as a benchmark to compare Fv models generated by seven structure prediction methodologies. In the first round, each participant submitted three non-ranked complete Fv models for each target. In the second round, CDR-H3 modeling was performed in the context of the correct environment provided by the crystal structures with CDR-H3 removed. In this report we describe the reference structures and present our assessment of the models. Some of the essential sources of errors in the predictions were traced to the selection of the structure template, both in terms of the CDR canonical structures and VL/VH packing. On top of this, the errors present in the Protein Data Bank structures were sometimes propagated in the current models, which emphasized the need for the curated structural database devoid of errors. Modeling non-canonical structures, including CDR-H3, remains the biggest challenge for antibody structure prediction.

PubMed: 24633955
DOI: 10.1002/prot.24554

実験手法

X-RAY DIFFRACTION (1.9 Å)