Three clusters of conformational states in p450cam reveal a multistep pathway for closing of the substrate access channel

Biochemistry. 2011 Feb 8;50(5):693-703. doi: 10.1021/bi101726d. Epub 2011 Jan 11.

Abstract

Conformational changes in the substrate access channel have been observed for several forms of cytochrome P450, but the extent of conformational plasticity exhibited by a given isozyme has not been completely characterized. Here we present crystal structures of P450cam bound to a library of 12 active site probes containing a substrate analogue tethered to a variable linker. The structures provide a unique view of the range of protein conformations accessible during substrate binding. Principal component analysis of a total of 30 structures reveals three discrete clusters of conformations: closed (P450cam-C), intermediate (P450cam-I), and fully open (P450cam-O). Relative to P450cam-C, the P450cam-I state results predominantly from a retraction of helix F, while both helices F and G move in concert to reach the fully open P450cam-O state. Both P450cam-C and P450cam-I are well-defined states, while P450cam-O shows evidence of a somewhat broader distribution of conformations and includes the open form recently seen in the absence of substrate. The observed clustering of protein conformations over a wide range of ligand variants suggests a multistep closure of the enzyme around the substrate that begins by conformational selection from an ensemble of open conformations and proceeds through a well-defined intermediate, P450cam-I, before full closure to the P450cam-C state in the presence of small substrates. This multistep pathway may have significant implications for a full understanding of substrate specificity, kinetics, and coupling of substrate binding to P450 function.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Bacterial Proteins / chemistry*
  • Camphor 5-Monooxygenase / chemistry*
  • Catalytic Domain
  • Crystallography, X-Ray
  • Protein Binding
  • Protein Conformation
  • Pseudomonas putida / chemistry
  • Pseudomonas putida / enzymology*
  • Substrate Specificity

Substances

  • Bacterial Proteins
  • Camphor 5-Monooxygenase

Associated data

  • PDB/3P6M
  • PDB/3P6N
  • PDB/3P6O
  • PDB/3P6P
  • PDB/3P6Q
  • PDB/3P6R
  • PDB/3P6S
  • PDB/3P6T
  • PDB/3P6U
  • PDB/3P6V
  • PDB/3P6W
  • PDB/3P6X