PMID- 17681537
OWN - NLM
STAT- MEDLINE
DA  - 20070903
DCOM- 20071101
IS  - 0022-2836 (Print)
IS  - 0022-2836 (Linking)
VI  - 372
IP  - 3
DP  - 2007 Sep 21
TI  - Inference of macromolecular assemblies from crystalline state.
PG  - 774-97
AB  - We discuss basic physical-chemical principles underlying the formation of stable 
      macromolecular complexes, which in many cases are likely to be the biological
      units performing a certain physiological function. We also consider available
      theoretical approaches to the calculation of macromolecular affinity and entropy 
      of complexation. The latter is shown to play an important role and make a major
      effect on complex size and symmetry. We develop a new method, based on chemical
      thermodynamics, for automatic detection of macromolecular assemblies in the
      Protein Data Bank (PDB) entries that are the results of X-ray diffraction
      experiments. As found, biological units may be recovered at 80-90% success rate, 
      which makes X-ray crystallography an important source of experimental data on
      macromolecular complexes and protein-protein interactions. The method is
      implemented as a public WWW service.
FAU - Krissinel, Evgeny
AU  - Krissinel E
AD  - European Bioinformatics Institute, Genome Campus, Hinxton, Cambridge CB10 1SD,
      UK.
FAU - Henrick, Kim
AU  - Henrick K
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20070513
PL  - England
TA  - J Mol Biol
JT  - Journal of molecular biology
JID - 2985088R
RN  - 0 (Ligands)
RN  - 0 (Macromolecular Substances)
RN  - 0 (Proteins)
RN  - 0 (Solutions)
RN  - 9007-49-2 (DNA)
SB  - IM
MH  - Calibration
MH  - Crystallization
MH  - Crystallography, X-Ray
MH  - DNA/chemistry
MH  - Dimerization
MH  - Entropy
MH  - Ligands
MH  - Macromolecular Substances/*chemistry
MH  - Models, Molecular
MH  - Protein Structure, Secondary
MH  - Proteins/chemistry
MH  - Solutions
EDAT- 2007/08/08 09:00
MHDA- 2007/11/02 09:00
CRDT- 2007/08/08 09:00
PHST- 2006/11/20 [received]
PHST- 2007/03/26 [revised]
PHST- 2007/05/08 [accepted]
PHST- 2007/05/13 [aheadofprint]
AID - S0022-2836(07)00642-0 [pii]
AID - 10.1016/j.jmb.2007.05.022 [doi]
PST - ppublish
SO  - J Mol Biol. 2007 Sep 21;372(3):774-97. Epub 2007 May 13.