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- PDB-1brz: SOLUTION STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, NMR, 43 STRUCTURES -

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Basic information

Entry
Database: PDB / ID: 1brz
TitleSOLUTION STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, NMR, 43 STRUCTURES
ComponentsBRAZZEIN
KeywordsSWEET PROTEIN / CYSTEINE-STABILIZED ALPHA-BETA
Function / homology
Function and homology information


defense response to fungus / killing of cells of another organism / defense response to bacterium / extracellular region
Similarity search - Function
Knottin, scorpion toxin-like / Knottin, scorpion toxin-like superfamily / Defensin A-like / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Defensin-like protein
Similarity search - Component
Biological speciesPentadiplandra brazzeana (plant)
MethodSOLUTION NMR / DYNAMICAL SIMULATED ANNEALING
AuthorsCaldwell, J.E. / Abildgaard, F. / Dzakula, Z. / Ming, D. / Hellekant, G. / Markley, J.L.
Citation
Journal: Nat.Struct.Biol. / Year: 1998
Title: Solution structure of the thermostable sweet-tasting protein brazzein.
Authors: Caldwell, J.E. / Abildgaard, F. / Dzakula, Z. / Ming, D. / Hellekant, G. / Markley, J.L.
#1: Journal: To be Published
Title: Complete 1H and Partial 13C Resonance Assignments at 37 and 22 Degrees C for Brazzein, an Intensely Sweet Protein
Authors: Caldwell, J.E. / Abildgaard, F. / Ming, D. / Hellekant, G. / Markley, J.L.
#2: Journal: FEBS Lett. / Year: 1994
Title: Brazzein, a New High-Potency Thermostable Sweet Protein from Pentadiplandra Brazzeana B
Authors: Ming, D. / Hellekant, G.
History
DepositionMar 12, 1998Processing site: BNL
Revision 1.0Jul 1, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 2.0Dec 25, 2019Group: Derived calculations / Other / Polymer sequence
Category: entity_poly / pdbx_database_status ...entity_poly / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_mod_residue / pdbx_struct_oper_list / struct_conn
Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_database_status.process_site ..._entity_poly.pdbx_seq_one_letter_code_can / _pdbx_database_status.process_site / _pdbx_struct_mod_residue.parent_comp_id / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: BRAZZEIN


Theoretical massNumber of molelcules
Total (without water)6,4911
Polymers6,4911
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)43 / 80LEAST RESTRAINT VIOLATION
Representative

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Components

#1: Protein BRAZZEIN /


Mass: 6491.328 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: EXTRACTED FROM FRUIT GROWN IN THE WILD / Source: (natural) Pentadiplandra brazzeana (plant) / Organ: FRUIT / Tissue: PULP SURROUNDING SEEDS / References: UniProt: P56552

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121E.COSY
131DQ
141DQF COSY

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Sample preparation

Sample conditionspH: 5.2 / Temperature: 295 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AM600BrukerAM6006001
Bruker DMX750BrukerDMX7507502

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Processing

Software
NameVersionClassification
X-PLOR3.843model building
X-PLOR3.843refinement
X-PLOR3.843phasing
NMR software
NameVersionDeveloperClassification
X-PLOR3.843BRUNGERrefinement
X-PLORstructure solution
RefinementMethod: DYNAMICAL SIMULATED ANNEALING / Software ordinal: 1
Details: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. REFINED USING FOUR CYCLES OF SIMULATED ANNEALING REFINEMENT IN X-PLOR.
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 80 / Conformers submitted total number: 43

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