NDLI: Modeling Electron Transfer Thermodynamics in Protein Complexes: Interaction between Two Cytochromes c 3

Content Provider	PubMed Central
Author	Teixeira, Vitor H. Baptista, António M. Soares, Cláudio M.
Copyright Year	2004
Abstract	Redox protein complexes between type I and type II tetraheme cytochromes c 3 from Desulfovibrio vulgaris Hildenborough are here analyzed using theoretical methodologies. Various complexes were generated using rigid-body docking techniques, and the two lowest energy complexes (1 and 2) were relaxed using molecular dynamics simulations with explicit solvent and subjected to further characterization. Complex 1 corresponds to an interaction between hemes I from both cytochromes c 3. Complex 2 corresponds to an interaction between the heme IV from type I and the heme I from type II cytochrome c 3. Binding free energy calculations using molecular mechanics, Poisson-Boltzmann, and surface accessibility methods show that complex 2 is more stable than complex 1. Thermodynamic calculations on complex 2 show that complex formation induces changes in the reduction potential of both cytochromes c 3, but the changes are larger in the type I cytochrome c 3 (the largest one occurring on heme IV, of ∼80 mV). These changes are sufficient to invert the global titration curves of both cytochromes, generating directionally in electron transfer from type I to type II cytochrome c 3, a phenomenon of obvious thermodynamic origin and consequences, but also with kinetic implications. The existence of processes like this occurring at complex formation may constitute a natural design of efficient redox chains.
Related Links	http://dx.doi.org/10.1016/s0006-3495(04)74331-3
Ending Page	2785
Page Count	13
Starting Page	2773
File Format	PDF
ISSN	00063495
e-ISSN	15420086
Journal	Biophysical Journal
Issue Number	5
Volume Number	86
Language	English
Publisher	Biophysical Society
Publisher Date	2004-05-01
Access Restriction	Open
Rights Holder	Biophysical Society
Subject Keyword	Biophysics Research in Higher Education
Content Type	Text
Resource Type	Article
Subject	Biophysics

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Effects of protein-protein interactions on electron transfer: docking and electron transfer calculations for complexes between flavodoxin and c-type cytochromes

Kinetics of electron transfer between cardiac cytochromes c1 and c.

Electron transfer between multihaem cytochromes $c_{3}$ from Desulfovibrio africanus

NMR basis for interprotein electron transfer gating between cytochrome c and cytochrome c oxidase.

Tools for resolving complexity in the electron transfer networks of multiheme cytochromes c

Catalytically-relevant electron transfer between two hemes b L in the hybrid cytochrome bc 1-like complex containing a fusion of Rhodobacter sphaeroides and capsulatus cytochromes b

Unraveling the electron transfer processes of a nanowire protein from Geobacter sulfurreducens

Theoretical study of electron transfer process between fullerenes and neurotransmitters; acetylcholine, dopamine, serotonin and epinephrine in nanostructures [neurotransmitters].C n complexes

Design and use of photoactive ruthenium complexes to study electron transfer within cytochrome bc1 and from cytochrome bc1 to cytochrome c.

Modeling Electron Transfer Thermodynamics in Protein Complexes: Interaction between Two Cytochromes c 3

Similar Documents

Effects of protein-protein interactions on electron transfer: docking and electron transfer calculations for complexes between flavodoxin and c-type cytochromes

Kinetics of electron transfer between cardiac cytochromes c1 and c.

Electron transfer between multihaem cytochromes $c_{3}$ from Desulfovibrio africanus

NMR basis for interprotein electron transfer gating between cytochrome c and cytochrome c oxidase.

Tools for resolving complexity in the electron transfer networks of multiheme cytochromes c

Catalytically-relevant electron transfer between two hemes b L in the hybrid cytochrome bc 1-like complex containing a fusion of Rhodobacter sphaeroides and capsulatus cytochromes b

Unraveling the electron transfer processes of a nanowire protein from Geobacter sulfurreducens

Theoretical study of electron transfer process between fullerenes and neurotransmitters; acetylcholine, dopamine, serotonin and epinephrine in nanostructures [neurotransmitters].C n complexes

Design and use of photoactive ruthenium complexes to study electron transfer within cytochrome bc1 and from cytochrome bc1 to cytochrome c.

Modeling Electron Transfer Thermodynamics in Protein Complexes: Interaction between Two Cytochromes c 3