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- PDB-2l3m: Solution structure of the putative copper-ion-binding protein fro... -

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Basic information

Entry
Database: PDB / ID: 2l3m
TitleSolution structure of the putative copper-ion-binding protein from Bacillus anthracis str. Ames
ComponentsCopper-ion-binding protein
KeywordsMETAL BINDING PROTEIN / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID
Function / homology
Function and homology information


copper ion transport / copper ion binding
Similarity search - Function
Copper ion binding protein / Heavy metal-associated domain, copper ion-binding / Heavy-metal-associated, conserved site / Heavy-metal-associated domain. / Heavy-metal-associated domain / Heavy metal-associated domain superfamily / Heavy-metal-associated domain profile. / Heavy metal-associated domain, HMA / Alpha-Beta Plaits - #100 / Alpha-Beta Plaits ...Copper ion binding protein / Heavy metal-associated domain, copper ion-binding / Heavy-metal-associated, conserved site / Heavy-metal-associated domain. / Heavy-metal-associated domain / Heavy metal-associated domain superfamily / Heavy-metal-associated domain profile. / Heavy metal-associated domain, HMA / Alpha-Beta Plaits - #100 / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Copper chaperone / Copper-ion-binding protein
Similarity search - Component
Biological speciesBacillus anthracis (anthrax bacterium)
MethodSOLUTION NMR / simulated annealing
Model detailsclosest to the average, model 1
AuthorsZhang, Y. / Winsor, J. / Dubrovska, I. / Anderson, W. / Radhakrishnan, I. / Center for Structural Genomics of Infectious Diseases (CSGID)
CitationJournal: To be Published
Title: To be published
Authors: Zhang, Y. / Winsor, J. / Dubrovska, I. / Anderson, W. / Radhakrishnan, I. / Center for Structural Genomics of Infectious Diseases (CSGID)
History
DepositionSep 16, 2010Deposition site: BMRB / Processing site: RCSB
Revision 1.0Jan 12, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2May 1, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_nmr_software / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Copper-ion-binding protein


Theoretical massNumber of molelcules
Total (without water)7,5831
Polymers7,5831
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 80structures with the lowest energy
RepresentativeModel #1closest to the average

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Components

#1: Protein Copper-ion-binding protein


Mass: 7583.466 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus anthracis (anthrax bacterium) / Strain: Ames / Gene: BAS3576, BA_3860, GBAA3860, GBAA_3860 / Production host: Escherichia coli (E. coli) / References: UniProt: Q81WV5, UniProt: A0A6H3AJY5*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1213D HN(CA)CB
1313D CBCA(CO)NH
1413D 1H-15N NOESY
1523D (H)CCH-TOCSY
1623D 1H-13C NOESY
1723D (H)CCH-COSY

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Sample preparation

Details
Solution-IDContentsSolvent system
120 mM potassium phosphate, 100 mM sodium chloride, 1 mM beta-mercaptoethanol, 1 mM EDTA, trace mM Protease Inhibitors, 1 mM sodium azide, 90% H2O/10% D2O90% H2O/10% D2O
220 mM potassium phosphate, 100 mM sodium chloride, 1 mM beta-mercaptoethanol, 1 mM EDTA, trace mM Protease Inhibitors, 1 mM sodium azide, 100% D2O100% D2O
Sample
Conc. (mg/ml)UnitsComponentSolution-ID
20 mMpotassium phosphate-11
100 mMsodium chloride-21
1 mMbeta-mercaptoethanol-31
1 mMEDTA-41
mMProtease Inhibitors-51
1 mMsodium azide-61
20 mMpotassium phosphate-72
100 mMsodium chloride-82
1 mMbeta-mercaptoethanol-92
1 mMEDTA-102
mMProtease Inhibitors-112
1 mMsodium azide-122
Sample conditionsIonic strength: 0.12 / pH: 6.9 / Pressure: ambient / Temperature: 15 K

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz

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Processing

NMR software
NameDeveloperClassification
NMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
ARIALinge, O'Donoghue and Nilgesrefinement
CNSBrunger, Adams, Clore, Gros, Nilges and Readstructure solution
CNSBrunger, Adams, Clore, Gros, Nilges and Readrefinement
SparkyGoddarddata analysis
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 80 / Conformers submitted total number: 20

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