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- PDB-1ccv: NMR SOLUTION STRUCTURE OF APIS MELLIFERA CHYMOTRYPSIN INHIBITOR (... -

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Basic information

Entry
Database: PDB / ID: 1ccv
TitleNMR SOLUTION STRUCTURE OF APIS MELLIFERA CHYMOTRYPSIN INHIBITOR (AMCI).
ComponentsCHYMOTRYPSIN INHIBITOR
KeywordsHYDROLASE INHIBITOR / PROTEIN INHIBITOR / HEMOLYMPH / APIS MELLIFERA / CANONICAL INHIBITOR
Function / homology
Function and homology information


serine-type endopeptidase inhibitor activity / extracellular region
Similarity search - Function
Trypsin Inhibitor-like, cysteine rich domain / Serine protease inhibitor-like superfamily / Trypsin Inhibitor like cysteine rich domain / Laminin / Laminin / Ribbon / Mainly Beta
Similarity search - Domain/homology
Chymotrypsin inhibitor
Similarity search - Component
Biological speciesApis mellifera (honey bee)
MethodSOLUTION NMR / simulated annealing
AuthorsCierpicki, T. / Otlewski, J.
Citation
Journal: Protein Sci. / Year: 2000
Title: NMR solution structure of Apis mellifera chymotrypsin/cathepsin G inhibitor-1 (AMCI-1): structural similarity with Ascaris protease inhibitors
Authors: Cierpicki, T. / Bania, J. / Otlewski, J.
#1: Journal: Eur.J.Biochem. / Year: 1999
Title: Primary Structure and Properties of the Cathepsin G/ Chymotrypsin Inhibitor from the Larval Hemolymph of Apis Mellifera
Authors: Bania, J. / Stachowiak, D. / Polanowski, A.
History
DepositionMar 2, 1999Deposition site: PDBE / Processing site: RCSB
Revision 1.0Mar 12, 1999Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: CHYMOTRYPSIN INHIBITOR


Theoretical massNumber of molelcules
Total (without water)5,9771
Polymers5,9771
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 200LEAST RESTRAINT VIOLATION
Representative

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Components

#1: Protein CHYMOTRYPSIN INHIBITOR / AMCI


Mass: 5976.823 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Apis mellifera (honey bee) / Tissue: HEMOLYMPH / References: UniProt: P56682

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121TOCSY
131DQFCOSY
NMR detailsText: THE STRUCTURE WAS DETERMINED USING TWO-DIMENSIONAL NMR SPECTROSCOPY BASED ON 666 DISTANCE RESTRAINTS, 32 ANGLE RESTRAINTS AND 16 HYDROGEN BONDS

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Sample preparation

Sample conditionspH: 2.5 / Temperature: 288 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Varian UNITYPLUS / Manufacturer: Varian / Model: UNITYPLUS / Field strength: 500 MHz

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Processing

NMR software
NameDeveloperClassification
DYANAGUNTERT,WUTHRICHrefinement
Sparkystructure solution
DYANAstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 200 / Conformers submitted total number: 20

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