1UYU
Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA
Summary for 1UYU
| Entry DOI | 10.2210/pdb1uyu/pdb |
| Related | 1AKD 1C8J 1CP4 1DZ4 1DZ6 1DZ8 1DZ9 1GEB 1GEK 1GEM 1GJM 1IWI 1IWJ 1IWK 1J51 1K2O 1LWL 1MPW 1NOO 1O76 1P2Y 1P7R 1PHA 1PHB 1PHC 1PHD 1PHE 1PHF 1PHG 1QMQ 2CP4 2CPP 3CP4 3CPP 4CP4 4CPP 5CP4 5CPP 6CP4 6CPP 7CPP 8CPP |
| Descriptor | CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE, CAMPHOR, ... (6 entities in total) |
| Functional Keywords | oxidoreductase, mono-oxygenase, heme, electron transport |
| Biological source | PSEUDOMONAS PUTIDA |
| Total number of polymer chains | 2 |
| Total formula weight | 95880.87 |
| Authors | Wade, R.C.,Winn, P.J.,Schlichting, I.,Sudarko, X. (deposition date: 2004-03-02, release date: 2005-03-07, Last modification date: 2023-12-13) |
| Primary citation | Wade, R.C.,Winn, P.J.,Schlichting, I. A Survey of Active Site Access Channels in Cytochromes P450 J.Inorg.Biochem., 98:1175-, 2004 Cited by PubMed Abstract: In cytochrome P450s, the active site is situated deep inside the protein next to the heme cofactor, and is often completely isolated from the surrounding solvent. To identify routes by which substrates may enter into and products exit from the active site, random expulsion molecular dynamics simulations were performed for three cytochrome P450s: CYP101, CYP102A1 and CYP107A1 [J. Mol. Biol. 303 (2000) 797; Proc. Natl. Acad. Sci. USA 99 (2002) 5361]. Amongst the different pathways identified, one pathway was found to be common to all three cytochrome P450s although the mechanism of ligand passage along it was different in each case and apparently adapted to the substrate specificity of the enzyme. Recently, a number of new crystal structures of cytochrome P450s have been solved. Here, we analyse the open channels leading to the active site that these structures reveal. We find that in addition to showing the common pathway, they provide experimental evidence for the existence of three additional channels that were identified by simulation. We also discuss how the location of xenon binding sites in CYP101 suggests a role for one of the pathways identified by molecular dynamics simulations as a route for gaseous species, such as oxygen, to access the active site. PubMed: 15219983DOI: 10.1016/J.JINORGBIO.2004.02.007 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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