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- PDB-3cti: RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF SQUASH ... -

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Entry
Database: PDB / ID: 3cti
TitleRELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF SQUASH TRYPSIN INHIBITOR
ComponentsTRYPSIN INHIBITOR
KeywordsPROTEINASE INHIBITOR (TRYPSIN)
Function / homologyProteinase inhibitor I7, squash / Squash family serine protease inhibitor / Squash family of serine protease inhibitors signature. / Plant trypsin inhibitors / Proteinase/amylase inhibitor domain superfamily / serine-type endopeptidase inhibitor activity / extracellular region / Trypsin inhibitor 1
Function and homology information
Biological speciesCucurbita maxima (winter squash)
MethodSOLUTION NMR
AuthorsNilges, M. / Habazettl, J. / Bruenger, A.T. / Holak, T.A.
Citation
Journal: J.Mol.Biol. / Year: 1991
Title: Relaxation matrix refinement of the solution structure of squash trypsin inhibitor.
Authors: Nilges, M. / Habazettl, J. / Brunger, A.T. / Holak, T.A.
#1: Journal: J.Mol.Biol. / Year: 1989
Title: Determination of the Complete Three-Dimensional Structure of the Trypsin Inhibitor from Squash Seeds in Aqueous Solution by Nuclear Magnetic Resonance and a Combination of Distance Geometry ...Title: Determination of the Complete Three-Dimensional Structure of the Trypsin Inhibitor from Squash Seeds in Aqueous Solution by Nuclear Magnetic Resonance and a Combination of Distance Geometry and Dynamical Simulated Annealing
Authors: Holak, T.A. / Gondol, D. / Otlewski, J. / Wilusz, T.
#2: Journal: J.Mol.Biol. / Year: 1989
Title: Nuclear Magnetic Resonance Solution and X-Ray Structures of Squash Trypsin Inhibitor Exhibit the Same Conformation of the Proteinase Binding Loop
Authors: Holak, T.A. / Bode, W. / Huber, R. / Otlewski, J. / Wilusz, T.
#3: Journal: FEBS Lett. / Year: 1990
Title: 1H NMR Assignments of Sidechain Conformations in Proteins Using a High-Dimensional Potential in the Simulated Annealing Calculations
Authors: Habazettl, J. / Cieslar, C. / Oschkinat, H. / Holak, T.A.
History
DepositionMar 27, 1991Processing site: BNL
Revision 1.0Apr 15, 1992Provider: repository / Type: Initial release
Revision 1.1Mar 25, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 16, 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 1.4Oct 23, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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MolmilJmol/JSmol

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Assembly

Deposited unit
A: TRYPSIN INHIBITOR


Theoretical massNumber of molelcules
Total (without water)3,2801
Polymers3,2801
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)6 / -
Representative

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Components

#1: Protein/peptide TRYPSIN INHIBITOR


Mass: 3279.919 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Cucurbita maxima (winter squash) / References: UniProt: P01074
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR

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Sample preparation

Crystal grow
*PLUS
Method: other / Details: NMR

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Processing

Software
NameClassification
SQUASHphasing
X-PLORmodel building
X-PLORrefinement
X-PLORphasing
NMR software
NameDeveloperClassification
DISGEOHAVEL,WUTHRICHrefinement
X-PLORBRUNGERrefinement
NMR ensembleConformers submitted total number: 6

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