4M7K: Crystal Structure of Anti-tissue Factor Antibody 10h10

Citation:
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 Eleven unpublished Fab crystal structures were used as a benchmark to compare Fv models generated by seven structure prediction methodologies.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. Proteins 2014; 82:1563-1582. (c) 2014 Wiley Periodicals, Inc.
PDB ID: 4M7KDownload
MMDB ID: 118601
PDB Deposition Date: 2013/8/12
Updated in MMDB: 2014/08 
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Similar Structures:
Biological Unit for 4M7K: dimeric; determined by author and by software (PISA)
Molecular Components in 4M7K
Label Count Molecule
Proteins (2 molecules)
1
10h10 Light Chain
Molecule annotation
1
10h10 Heavy Chain
Molecule annotation
Chemicals (2 molecules)
1
1
2
1
* Click molecule labels to explore molecular sequence information.

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