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- PDB-1h20: Solution structure of the potato carboxypeptidase inhibitor -

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Basic information

Entry
Database: PDB / ID: 1h20
TitleSolution structure of the potato carboxypeptidase inhibitor
ComponentsMETALLOCARBOXYPEPTIDASE INHIBITOR
KeywordsINHIBITOR / METALLOENZYME INHIBITOR / PLANT DEFENSE
Function / homologyCarboxypeptidase A inhibitor-like / Carboxypeptidase A inhibitor / Proteinase/amylase inhibitor domain superfamily / endopeptidase inhibitor activity / Metallocarboxypeptidase inhibitor
Function and homology information
Biological speciesSOLANUM TUBEROSUM (potato)
MethodSOLUTION NMR / RESTRAINED MOLECULAR DYNAMICS
AuthorsGonzalez, C. / Neira, J.L. / Ventura, S. / Bronsoms, S. / Aviles, F.X. / Rico, M.
CitationJournal: Proteins / Year: 2003
Title: Structure and Dynamics of the Potato Carboxypeptidase Inhibitor by 1H and 15N NMR.
Authors: Gonzalez, C. / Neira, J.L. / Ventura, S. / Bronsoms, S. / Rico, M. / Aviles, F.X.
History
DepositionJul 29, 2002Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 9, 2003Provider: repository / Type: Initial release
Revision 1.1Dec 28, 2011Group: Database references / Other ...Database references / Other / Structure summary / Version format compliance

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: METALLOCARBOXYPEPTIDASE INHIBITOR


Theoretical massNumber of molelcules
Total (without water)4,3061
Polymers4,3061
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)25 / 25
Representative

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Components

#1: Protein/peptide METALLOCARBOXYPEPTIDASE INHIBITOR / CARBOXYPEPTIDASE INHIBITOR / MCPI


Mass: 4305.790 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) SOLANUM TUBEROSUM (potato) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P01075
Compound detailsPLAYS A DEFENSIVE ROLE AGAINST INSECT ATTACKS. SIMILAR TO TOMATO MCPI

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121TOCSY
131COSY

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Sample preparation

Sample conditionspH: 4.0 / Pressure: 1 atm / Temperature: 308 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AMX / Manufacturer: Bruker / Model: AMX / Field strength: 600 MHz

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Processing

NMR software
NameDeveloperClassification
GROMOSVAN GUNSTEREN,BERENDSENrefinement
GROMOSstructure solution
RefinementMethod: RESTRAINED MOLECULAR DYNAMICS / Software ordinal: 1
Details: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE
NMR ensembleConformers calculated total number: 25 / Conformers submitted total number: 25

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