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- PDB-1qh2: CHYMOTRYPSIN INHIBITOR (C2) FROM NICOTIANA ALATA -

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Basic information

Entry
Database: PDB / ID: 1qh2
TitleCHYMOTRYPSIN INHIBITOR (C2) FROM NICOTIANA ALATA
Components(PROTEIN (TRYPSIN INHIBITOR C2)) x 2
KeywordsHYDROLASE INHIBITOR / PROTEINASE INHIBITOR (CHYMOTRYPSIN) / SERINE PROTEINASE INHIBITOR / POTATO II TRYPSIN INHIBITOR / NICOTIANA ALATA
Function / homologyProteinase inhibitor I20 / : / Potato type II proteinase inhibitor family / serine-type endopeptidase inhibitor activity / Proteinase inhibitor
Function and homology information
Biological speciesNicotiana alata (Persian tobacco)
MethodSOLUTION NMR / simulated annealing
AuthorsLee, M.C.S. / Scanlon, M.J. / Anderson, M.A. / Craik, D.J.
Citation
Journal: Nat.Struct.Biol. / Year: 1999
Title: A novel two-chain proteinase inhibitor generated by circularization of a multidomain precursor protein.
Authors: Lee, M.C. / Scanlon, M.J. / Craik, D.J. / Anderson, M.A.
#1: Journal: J.Mol.Biol. / Year: 1994
Title: The Three-Dimensional Solution Structure by 1H NMR of a 6-kDa Proteinase Inhibitor Isolated from the Stigma of Nicotiana Alata
Authors: Nielsen, K.J. / Heath, R.L. / Anderson, M.A. / Craik, D.J.
History
DepositionMay 11, 1999Deposition site: BNL / Processing site: RCSB
Revision 1.0May 24, 1999Provider: repository / Type: Initial release
Revision 1.1Oct 16, 2007Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Revision 1.5Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: PROTEIN (TRYPSIN INHIBITOR C2)
B: PROTEIN (TRYPSIN INHIBITOR C2)


Theoretical massNumber of molelcules
Total (without water)5,0242
Polymers5,0242
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)1 / -
Representative

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Components

#1: Protein/peptide PROTEIN (TRYPSIN INHIBITOR C2)


Mass: 1983.362 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nicotiana alata (Persian tobacco) / Organ: STIGMA / References: UniProt: Q40378
#2: Protein/peptide PROTEIN (TRYPSIN INHIBITOR C2)


Mass: 3040.453 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nicotiana alata (Persian tobacco) / Organ: STIGMA / References: UniProt: Q40378
Has protein modificationY
Sequence detailsSEQUENCE REFERENCE: A.H.ATKINSON,R.L.HEATH, R.L.SIMPSON, A.C.CLARKE,M.A.ANDERSON, PLANT CELL, 5, 203-213.

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121TOCSY
131DQFCOSY
141ECOSY

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Sample preparation

DetailsContents: 10% D2O/90% H2O
Sample conditionspH: 5.2 / Temperature: 313 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DRX750 / Manufacturer: Bruker / Model: DRX750 / Field strength: 750 MHz

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Processing

NMR software
NameVersionDeveloperClassification
X-PLOR3.851BRUNGERrefinement
DYANAstructure solution
X-PLORstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformers submitted total number: 1

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