| Range |
~520 Å^3
|
| Organism |
Human Homo sapiens |
| Reference |
Williams PA et al., Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone. Science. 2004 Jul 30 305(5684):683-6. DOI: 10.1126/science.1099736 link p.684 caption to fig.1C & p.685 middle column bottom paragraph PubMed ID15256616
|
| Primary Source |
M. Hendlich, F. Rippmann, G. Barnickel, LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins. J Mol Graph Model. 1997 Dec15(6):359-63, 389.PubMed ID9704298
|
| Method |
Primary source abstract:"LIGSITE is a new program for the automatic and time-efficient detection of pockets on the surface of proteins that may act as binding sites for small molecule ligands. Pockets are identified with a series of simple operations on a cubic grid." |
| Comments |
p.684 caption to fig.1C:"The available volume of the active site is about 520 Å^3 [calculated with the LIGSITE algorithm (primary source)]." p.685 middle column bottom paragraph:"Furthermore, as a result of this aromatic clustering, the active site of CYP3A4 has a probe-accessible volume (primary source) of about 520 Å^3, substantially smaller than expected on the basis of its reported metabolism of large substrates." |
| Entered by |
sefi |
| ID |
112095 |