PMID- 19246375
OWN - NLM
STAT- MEDLINE
DCOM- 20090408
LR  - 20240316
IS  - 1091-6490 (Electronic)
IS  - 0027-8424 (Print)
IS  - 0027-8424 (Linking)
VI  - 106
IP  - 11
DP  - 2009 Mar 17
TI  - Water may inhibit oxygen binding in hemoprotein models.
PG  - 4101-5
LID - 10.1073/pnas.0900893106 [doi]
AB  - Three distal imidazole pickets in a cytochrome c oxidase (CcO) model form a 
      pocket hosting a cluster of water molecules. The cluster makes the ferrous heme 
      low spin, and consequently the O(2) binding slow. The nature of the rigid 
      proximal imidazole tail favors a high spin/low spin cross-over. The O(2) binding 
      rate is enhanced either by removing the water, increasing the hydrophobicity of 
      the gas binding pocket, or inserting a metal ion that coordinates to the 3 distal 
      imidazole pickets.
FAU - Collman, James P
AU  - Collman JP
AD  - Department of Chemistry, Stanford University, Stanford, CA 94305, USA. 
      jpc@stanford.edu
FAU - Decreau, Richard A
AU  - Decreau RA
FAU - Dey, Abhishek
AU  - Dey A
FAU - Yang, Ying
AU  - Yang Y
LA  - eng
GR  - R01 GM017880/GM/NIGMS NIH HHS/United States
GR  - GM-17880-35/GM/NIGMS NIH HHS/United States
PT  - Journal Article
PT  - Research Support, N.I.H., Extramural
PT  - Research Support, Non-U.S. Gov't
DEP - 20090225
PL  - United States
TA  - Proc Natl Acad Sci U S A
JT  - Proceedings of the National Academy of Sciences of the United States of America
JID - 7505876
RN  - 0 (Hemeproteins)
RN  - 0 (Imidazoles)
RN  - 0 (Metals)
RN  - 059QF0KO0R (Water)
RN  - EC 1.9.3.1 (Electron Transport Complex IV)
RN  - S88TT14065 (Oxygen)
SB  - IM
MH  - Binding Sites
MH  - Electron Transport Complex IV/chemistry
MH  - Hemeproteins/*chemistry
MH  - Imidazoles
MH  - Kinetics
MH  - Metals
MH  - Models, Molecular
MH  - Oxygen/*chemistry
MH  - Water/*chemistry
PMC - PMC2657390
COIS- The authors declare no conflict of interest.
EDAT- 2009/02/28 09:00
MHDA- 2009/04/09 09:00
PMCR- 2009/09/17
CRDT- 2009/02/28 09:00
PHST- 2009/02/28 09:00 [entrez]
PHST- 2009/02/28 09:00 [pubmed]
PHST- 2009/04/09 09:00 [medline]
PHST- 2009/09/17 00:00 [pmc-release]
AID - 0900893106 [pii]
AID - 7178 [pii]
AID - 10.1073/pnas.0900893106 [doi]
PST - ppublish
SO  - Proc Natl Acad Sci U S A. 2009 Mar 17;106(11):4101-5. doi: 
      10.1073/pnas.0900893106. Epub 2009 Feb 25.