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Title: Spectroscopic and Theoretical Study of Cu I Binding to His111 in the Human Prion Protein Fragment 106–115

Authors:
 [1];  [2];  [1];  [3];  [1];  [3];  [4];  [5];  [1];  [5];  [1]
  1. Departamento de Química, Cinvestav, Gustavo A. Madero, 07360 México
  2. Department of Chemistry, Stanford University, Stanford, California 94395, United States
  3. Max Planck Laboratory for Structural Biology, Chemistry and Molecular Biophysics of Rosario (MPLbioR, UNR-MPIbpC) and Instituto de Investigaciones para el Descubrimiento de Fármacos de Rosario (IIDEFAR, UNR-CONICET), Universidad Nacional de Rosario, Ocampo y Esmeralda, S2002LRK Rosario, Argentina
  4. Stanford Synchrotron Radiation Lightsource (SSRL), SLAC, Stanford University, Menlo Park, California 94025, United States
  5. Department of Chemistry, Stanford University, Stanford, California 94395, United States, Stanford Synchrotron Radiation Lightsource (SSRL), SLAC, Stanford University, Menlo Park, California 94025, United States
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1240026
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Published Article
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Name: Inorganic Chemistry Journal Volume: 55 Journal Issue: 6; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

Citation Formats

Arcos-López, Trinidad, Qayyum, Munzarin, Rivillas-Acevedo, Lina, Miotto, Marco C., Grande-Aztatzi, Rafael, Fernández, Claudio O., Hedman, Britt, Hodgson, Keith O., Vela, Alberto, Solomon, Edward I., and Quintanar, Liliana. Spectroscopic and Theoretical Study of Cu I Binding to His111 in the Human Prion Protein Fragment 106–115. United States: N. p., 2016. Web. doi:10.1021/acs.inorgchem.5b02794.
Arcos-López, Trinidad, Qayyum, Munzarin, Rivillas-Acevedo, Lina, Miotto, Marco C., Grande-Aztatzi, Rafael, Fernández, Claudio O., Hedman, Britt, Hodgson, Keith O., Vela, Alberto, Solomon, Edward I., & Quintanar, Liliana. Spectroscopic and Theoretical Study of Cu I Binding to His111 in the Human Prion Protein Fragment 106–115. United States. https://doi.org/10.1021/acs.inorgchem.5b02794
Arcos-López, Trinidad, Qayyum, Munzarin, Rivillas-Acevedo, Lina, Miotto, Marco C., Grande-Aztatzi, Rafael, Fernández, Claudio O., Hedman, Britt, Hodgson, Keith O., Vela, Alberto, Solomon, Edward I., and Quintanar, Liliana. Tue . "Spectroscopic and Theoretical Study of Cu I Binding to His111 in the Human Prion Protein Fragment 106–115". United States. https://doi.org/10.1021/acs.inorgchem.5b02794.
@article{osti_1240026,
title = {Spectroscopic and Theoretical Study of Cu I Binding to His111 in the Human Prion Protein Fragment 106–115},
author = {Arcos-López, Trinidad and Qayyum, Munzarin and Rivillas-Acevedo, Lina and Miotto, Marco C. and Grande-Aztatzi, Rafael and Fernández, Claudio O. and Hedman, Britt and Hodgson, Keith O. and Vela, Alberto and Solomon, Edward I. and Quintanar, Liliana},
abstractNote = {},
doi = {10.1021/acs.inorgchem.5b02794},
journal = {Inorganic Chemistry},
number = 6,
volume = 55,
place = {United States},
year = {Tue Mar 01 00:00:00 EST 2016},
month = {Tue Mar 01 00:00:00 EST 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1021/acs.inorgchem.5b02794

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Cited by: 17 works
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Works referenced in this record:

Prion Protein Protects Human Neurons against Bax-mediated Apoptosis
journal, October 2001

  • Bounhar, Younes; Zhang, Yan; Goodyer, Cynthia G.
  • Journal of Biological Chemistry, Vol. 276, Issue 42
  • DOI: 10.1074/jbc.C100443200

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Electron Transfer Reactions in Chemistry: Theory and Experiment (Nobel Lecture)
journal, August 1993

  • Marcus, Rudolph A.
  • Angewandte Chemie International Edition in English, Vol. 32, Issue 8
  • DOI: 10.1002/anie.199311113

Neuroprotective functions of prion protein
journal, January 2004

  • Roucou, Xavier; Gains, Malcolm; LeBlanc, Andr�a C.
  • Journal of Neuroscience Research, Vol. 75, Issue 2
  • DOI: 10.1002/jnr.10864

Imbalance of antioxidant defense in mice lacking cellular prion protein
journal, May 2001

  • bio Klamt, Fá; Dal-Pizzol, Felipe; Conte da Frota, Mario Luiz
  • Free Radical Biology and Medicine, Vol. 30, Issue 10
  • DOI: 10.1016/S0891-5849(01)00512-3

Ablation of the metal ion-induced endocytosis of the prion protein by disease-associated mutation of the octarepeat region
journal, April 2001


A MinMax self-consistent-field approach for auxiliary density functional theory
journal, March 2009

  • Köster, Andreas M.; del Campo, Jorge M.; Janetzko, Florian
  • The Journal of Chemical Physics, Vol. 130, Issue 11
  • DOI: 10.1063/1.3080618

Geometry, Reduction Potential, and Reorganization Energy of the Binuclear Cu A Site, Studied by Density Functional Theory
journal, August 2001

  • Olsson, Mats H. M.; Ryde, Ulf
  • Journal of the American Chemical Society, Vol. 123, Issue 32
  • DOI: 10.1021/ja010315u

Allosteric function and dysfunction of the prion protein
journal, October 2011

  • Linden, Rafael; Cordeiro, Yraima; Lima, Luis Mauricio T. R.
  • Cellular and Molecular Life Sciences, Vol. 69, Issue 7
  • DOI: 10.1007/s00018-011-0847-7

NMR solution structure of the human prion protein
journal, January 2000

  • Zahn, R.; Liu, A.; Luhrs, T.
  • Proceedings of the National Academy of Sciences, Vol. 97, Issue 1
  • DOI: 10.1073/pnas.97.1.145

PrP-dependent cell adhesion in N2a neuroblastoma cells
journal, March 2002


On some approximations in applications of X α theory
journal, October 1979

  • Dunlap, B. I.; Connolly, J. W. D.; Sabin, J. R.
  • The Journal of Chemical Physics, Vol. 71, Issue 8
  • DOI: 10.1063/1.438728

Reactivity of Pseudoazurin from Achromobacter cycloclastes with Inorganic Redox Partners and Related NMR and Electrochemical Studies
journal, July 1994

  • Dennison, Christopher; Kohzuma, Takamitsu; McFarlane, William
  • Inorganic Chemistry, Vol. 33, Issue 15
  • DOI: 10.1021/ic00093a017

Copper-catalyzed oxidation of the recombinant SHa(29-231) prion protein
journal, June 2001

  • Requena, J. R.; Groth, D.; Legname, G.
  • Proceedings of the National Academy of Sciences, Vol. 98, Issue 13
  • DOI: 10.1073/pnas.121190898

The Role of PrP in Health and Disease
journal, June 2004


Copper Binding in the Prion Protein
journal, January 2004

  • Millhauser, Glenn L.
  • Accounts of Chemical Research, Vol. 37, Issue 2
  • DOI: 10.1021/ar0301678

The cellular prion protein binds copper in vivo
journal, December 1997

  • Brown, David R.; Qin, Kefeng; Herms, Jochen W.
  • Nature, Vol. 390, Issue 6661
  • DOI: 10.1038/37783

Methods for studying synaptosomal copper release
journal, September 2003


Normal prion protein has an activity like that of superoxide dismutase
journal, November 1999

  • Brown, David R.; Wong, Boon-Seng; Hafiz, Farida
  • Biochemical Journal, Vol. 344, Issue 1
  • DOI: 10.1042/bj3440001

The rich electrochemistry and redox reactions of the copper sites in the cellular prion protein
journal, October 2012


The Octarepeat Domain of the Prion Protein Binds Cu(II) with Three Distinct Coordination Modes at pH 7.4
journal, August 2005

  • Chattopadhyay, Madhuri; Walter, Eric D.; Newell, Dustin J.
  • Journal of the American Chemical Society, Vol. 127, Issue 36
  • DOI: 10.1021/ja053254z

Cellular prion protein function in copper homeostasis and redox signalling at the synapse: Cellular prion protein function
journal, June 2003


Induction of Methionine-Sulfoxide Reductases Protects Neurons from Amyloid β-Protein Insults in Vitro and in Vivo
journal, December 2011

  • Moskovitz, Jackob; Maiti, Panchanan; Lopes, Dahabada H. J.
  • Biochemistry, Vol. 50, Issue 49
  • DOI: 10.1021/bi201426b

Bond valence sum analysis of metal-ligand bond lengths in metalloenzymes and model complexes
journal, April 1992


Structure of the recombinant full-length hamster prion protein PrP(29-231): The N terminus is highly flexible
journal, December 1997

  • Donne, D. G.; Viles, J. H.; Groth, D.
  • Proceedings of the National Academy of Sciences, Vol. 94, Issue 25
  • DOI: 10.1073/pnas.94.25.13452

Structural Models for Cu(II) Bound to the Fragment 92–96 of the Human Prion Protein
journal, January 2013

  • Grande-Aztatzi, Rafael; Rivillas-Acevedo, Lina; Quintanar, Liliana
  • The Journal of Physical Chemistry B, Vol. 117, Issue 3
  • DOI: 10.1021/jp310000h

Introduction of a π−π Interaction at the Active Site of a Cupredoxin:  Characterization of the Met16Phe Pseudoazurin Mutant
journal, June 2003

  • Yanagisawa, Sachiko; Sato, Katsuko; Kikuchi, Makiko
  • Biochemistry, Vol. 42, Issue 22
  • DOI: 10.1021/bi030030p

deMon2k: deMon2k
journal, November 2011

  • Geudtner, Gerald; Calaminici, Patrizia; Carmona-Espíndola, Javier
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 4
  • DOI: 10.1002/wcms.98

Folding of the prion peptide GGGTHSQW around the copper(II) ion: identifying the oxygen donor ligand at neutral pH and probing the proximity of the tryptophan residue to the copper ion
journal, May 2008

  • Hureau, Christelle; Mathé, Christelle; Faller, Peter
  • JBIC Journal of Biological Inorganic Chemistry, Vol. 13, Issue 7
  • DOI: 10.1007/s00775-008-0389-0

Identification of the Cu 2+ Binding Sites in the N-Terminal Domain of the Prion Protein by EPR and CD Spectroscopy
journal, November 2000

  • Aronoff-Spencer, Eliah; Burns, Colin S.; Avdievich, Nikolai I.
  • Biochemistry, Vol. 39, Issue 45
  • DOI: 10.1021/bi001472t

A redox switch in CopC: An intriguing copper trafficking protein that binds copper(I) and copper(II) at different sites
journal, March 2003

  • Arnesano, F.; Banci, L.; Bertini, I.
  • Proceedings of the National Academy of Sciences, Vol. 100, Issue 7
  • DOI: 10.1073/pnas.0636904100

Reorganization Energy of the Cu A Center in Purple Azurin:  Impact of the Mixed Valence-to-Trapped Valence State Transition
journal, June 2007

  • Farver, Ole; Hwang, Hee Jung; Lu, Yi
  • The Journal of Physical Chemistry B, Vol. 111, Issue 24
  • DOI: 10.1021/jp0672555

Structure and Mechanism of Peptide Methionine Sulfoxide Reductase, an “Anti-Oxidation” Enzyme ,
journal, October 2000

  • Lowther, W. Todd; Brot, Nathan; Weissbach, Herbert
  • Biochemistry, Vol. 39, Issue 44
  • DOI: 10.1021/bi0020269

Methionine Oxidation Perturbs the Structural Core of the Prion Protein and Suggests a Generic Misfolding Pathway
journal, August 2012

  • Younan, Nadine D.; Nadal, Rebecca C.; Davies, Paul
  • Journal of Biological Chemistry, Vol. 287, Issue 34
  • DOI: 10.1074/jbc.M112.354779

Decrease in Peptide Methionine Sulfoxide Reductase in Alzheimer's Disease Brain
journal, October 1999


Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database
journal, August 1985

  • Brown, I. D.; Altermatt, D.
  • Acta Crystallographica Section B Structural Science, Vol. 41, Issue 4
  • DOI: 10.1107/S0108768185002063

Protonation of a Histidine Copper Ligand in Fern Plastocyanin
journal, April 2007

  • Hulsker, Rinske; Mery, Annabelle; Thomassen, Ellen A.
  • Journal of the American Chemical Society, Vol. 129, Issue 14
  • DOI: 10.1021/ja0690464

Nobel Lecture: Prions
journal, November 1998


Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation
journal, February 1992

  • Godbout, Nathalie; Salahub, Dennis R.; Andzelm, Jan
  • Canadian Journal of Chemistry, Vol. 70, Issue 2
  • DOI: 10.1139/v92-079

Methionine Oxidation Interferes with Conversion of the Prion Protein into the Fibrillar Proteinase K-Resistant Conformation
journal, November 2005

  • Breydo, Leonid; Bocharova, Olga V.; Makarava, Natallia
  • Biochemistry, Vol. 44, Issue 47
  • DOI: 10.1021/bi051369+

Chemical and Electrochemical Electron-Transfer Theory
journal, October 1964


Carbonyl formation on a copper-bound prion protein fragment, PrP 23-98 , associated with its dopamine oxidase activity
journal, January 2002


Molecular cloning and complete sequence of prion protein cDNA from mouse brain infected with the scrapie agent.
journal, September 1986

  • Locht, C.; Chesebro, B.; Race, R.
  • Proceedings of the National Academy of Sciences, Vol. 83, Issue 17
  • DOI: 10.1073/pnas.83.17.6372

Copper-dependent generation of hydrogen peroxide from the toxic prion protein fragment PrP106–126
journal, January 2003


Fast conventional Fmoc solid-phase peptide synthesis with HCTU
journal, January 2007

  • Hood, Christina A.; Fuentes, German; Patel, Hirendra
  • Journal of Peptide Science, Vol. 14, Issue 1
  • DOI: 10.1002/psc.921

Copper coordination to the prion protein: Insights from theoretical studies
journal, January 2013

  • Quintanar, Liliana; Rivillas-Acevedo, Lina; Grande-Aztatzi, Rafael
  • Coordination Chemistry Reviews, Vol. 257, Issue 2
  • DOI: 10.1016/j.ccr.2012.06.026

Calculation of Solvent Shifts on Electronic g -Tensors with the Conductor-Like Screening Model (COSMO) and Its Self-Consistent Generalization to Real Solvents (Direct COSMO-RS)
journal, February 2006

  • Sinnecker, Sebastian; Rajendran, Arivazhagan; Klamt, Andreas
  • The Journal of Physical Chemistry A, Vol. 110, Issue 6
  • DOI: 10.1021/jp056016z

A Mets Motif Peptide Found in Copper Transport Proteins Selectively Binds Cu(I) with Methionine-Only Coordination
journal, December 2005

  • Jiang, Jianfeng; Nadas, Istvan A.; Kim, M. Alison
  • Inorganic Chemistry, Vol. 44, Issue 26
  • DOI: 10.1021/ic051180m

Copper Stimulates Endocytosis of the Prion Protein
journal, December 1998


Both Met(109) and Met(112) are utilized for Cu(II) coordination by the amyloidogenic fragment of the human prion protein at physiological pH
journal, December 2008


PySpline: A Modern, Cross-Platform Program for the Processing of Raw Averaged XAS Edge and EXAFS Data
conference, January 2007

  • Tenderholt, Adam; Hedman, Britt; Hodgson, Keith O.
  • X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference, AIP Conference Proceedings
  • DOI: 10.1063/1.2644442

Signal Transduction Through Prion Protein
journal, September 2000


Evidence of Presynaptic Location and Function of the Prion Protein
journal, October 1999


Comparison of methods for determination of ascorbic acid in animal tissues
journal, July 1983

  • Carr, Robert Scott.; Bally, Marcel B.; Thomas, Peter.
  • Analytical Chemistry, Vol. 55, Issue 8
  • DOI: 10.1021/ac00259a012

Model Peptides Provide New Insights into the Role of Histidine Residues as Potential Ligands in Human Cellular Copper Acquisition via Ctr1
journal, March 2011

  • Haas, Kathryn L.; Putterman, Allison B.; White, Daniel R.
  • Journal of the American Chemical Society, Vol. 133, Issue 12
  • DOI: 10.1021/ja108890c

Copper-ion interaction with the 106–113 domain of the prion protein: a solution-equilibria study on model peptides
journal, January 2005

  • Remelli, Maurizio; Donatoni, Martina; Guerrini, Remo
  • Dalton Transactions, Issue 17
  • DOI: 10.1039/b505314e

The PcoC Copper Resistance Protein Coordinates Cu(I) via Novel S-Methionine Interactions
journal, January 2003

  • Peariso, Katrina; Huffman, David L.; Penner-Hahn, James E.
  • Journal of the American Chemical Society, Vol. 125, Issue 2
  • DOI: 10.1021/ja028935y

X-ray absorption edge determination of the oxidation state and coordination number of copper. Application to the type 3 site in Rhus vernicifera laccase and its reaction with oxygen
journal, October 1987

  • Kau, Lung Shan; Spira-Solomon, Darlene J.; Penner-Hahn, James E.
  • Journal of the American Chemical Society, Vol. 109, Issue 21
  • DOI: 10.1021/ja00255a032

Novel proteinaceous infectious particles cause scrapie
journal, April 1982


Physiology of the Prion Protein
journal, April 2008


Bond valence sum analysis of metal-ligand bond lengths in metalloenzymes and model complexes. 2. Refined distances and other enzymes
journal, September 1993

  • Liu, Wentian; Thorp, H. Holden
  • Inorganic Chemistry, Vol. 32, Issue 19
  • DOI: 10.1021/ic00071a023

Prion Protein Gene Variation Among Primates
journal, January 1995

  • Schätzl, Hermann M.; Costa, Maria Da; Taylor, Leslie
  • Journal of Molecular Biology, Vol. 245, Issue 4
  • DOI: 10.1006/jmbi.1994.0030

Reorganization Energy of Blue Copper:  Effects of Temperature and Driving Force on the Rates of Electron Transfer in Ruthenium- and Osmium-Modified Azurins
journal, October 1997

  • Di Bilio, Angel J.; Hill, Michael G.; Bonander, Nicklas
  • Journal of the American Chemical Society, Vol. 119, Issue 41
  • DOI: 10.1021/ja971518e

Prion protein does not redox-silence Cu2+, but is a sacrificial quencher of hydroxyl radicals
journal, January 2007


Conversion of alpha-helices into beta-sheets features in the formation of the scrapie prion proteins
journal, December 1993

  • Pan, K. M.; Baldwin, M.; Nguyen, J.
  • Proceedings of the National Academy of Sciences, Vol. 90, Issue 23
  • DOI: 10.1073/pnas.90.23.10962

Nerve endings from rat brain tissue release copper upon depolarization. A possible role in regulating neuronal excitability
journal, August 1989


Reorganization energies in benzene, naphthalene, and anthracene
journal, November 1994


Specific binding modes of Cu(I) and Ag(I) with neurotoxic domain of the human prion protein
journal, February 2016


Left-right correlation energy
journal, March 2001


Copper Redox Cycling in the Prion Protein Depends Critically on Binding Mode
journal, July 2011

  • Liu, Lin; Jiang, Dianlu; McDonald, Alex
  • Journal of the American Chemical Society, Vol. 133, Issue 31
  • DOI: 10.1021/ja2045259

Neuronal Apoptosis in Creutzfeldt-Jakob Disease
journal, January 1999

  • Gray, Francoise; Chrétien, Fabrice; Adle-Biassette, Homa
  • Journal of Neuropathology and Experimental Neurology, Vol. 58, Issue 4
  • DOI: 10.1097/00005072-199904000-00002

Nicotinamide adenine dinucleotide, a metabolic regulator of transcription, longevity and disease
journal, April 2003


Spectroscopic and Electronic Structure Studies of Copper(II) Binding to His111 in the Human Prion Protein Fragment 106−115: Evaluating the Role of Protons and Methionine Residues
journal, January 2011

  • Rivillas-Acevedo, Lina; Grande-Aztatzi, Rafael; Lomelí, Italia
  • Inorganic Chemistry, Vol. 50, Issue 5
  • DOI: 10.1021/ic102381j

A Novel Copper-Binding Fold for the Periplasmic Copper Resistance Protein CusF ,
journal, August 2005

  • Loftin, Isabell R.; Franke, Sylvia; Roberts, Sue A.
  • Biochemistry, Vol. 44, Issue 31
  • DOI: 10.1021/bi050827b

Generation of Hydrogen Peroxide from Mutant Forms of the Prion Protein Fragment PrP121−231
journal, July 2003

  • Turnbull, Stuart; Tabner, Brian J.; Brown, David R.
  • Biochemistry, Vol. 42, Issue 25
  • DOI: 10.1021/bi030036e

Prion Diseases and the BSE Crisis
journal, October 1997


Theoretical approaches to x-ray absorption fine structure
journal, July 2000


Separation and properties of cellular and scrapie prion proteins.
journal, April 1986

  • Meyer, R. K.; McKinley, M. P.; Bowman, K. A.
  • Proceedings of the National Academy of Sciences, Vol. 83, Issue 8
  • DOI: 10.1073/pnas.83.8.2310

The potential diagram for oxygen at pH 7
journal, July 1988


CopC Protein from Pseudomonas s yringae :  Intermolecular Transfer of Copper from Both the Copper(I) and Copper(II) Sites
journal, July 2005

  • Koay, Melissa; Zhang, Lianyi; Yang, Binsheng
  • Inorganic Chemistry, Vol. 44, Issue 15
  • DOI: 10.1021/ic0506198

Copper Coordination in the Full-Length, Recombinant Prion Protein
journal, May 2003

  • Burns, Colin S.; Aronoff-Spencer, Eliah; Legname, Giuseppe
  • Biochemistry, Vol. 42, Issue 22
  • DOI: 10.1021/bi027138+

The amyloidogenic region of the human prion protein contains a high affinity (Met)2(His)2 Cu(I) binding site
journal, August 2009


Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems
journal, January 2007

  • Calaminici, Patrizia; Janetzko, Florian; Köster, Andreas M.
  • The Journal of Chemical Physics, Vol. 126, Issue 4
  • DOI: 10.1063/1.2431643