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- PDB-4ait: RESTRAINED ENERGY REFINEMENT WITH TWO DIFFERENT ALGORITHMS AND FO... -

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Basic information

Entry
Database: PDB / ID: 4ait
TitleRESTRAINED ENERGY REFINEMENT WITH TWO DIFFERENT ALGORITHMS AND FORCE FIELDS OF THE STRUCTURE OF THE ALPHA-AMYLASE INHIBITOR TENDAMISTAT DETERMINED BY NMR IN SOLUTION
ComponentsTENDAMISTAT
KeywordsALPHA-AMYLASE INHIBITOR
Function / homology
Function and homology information


alpha-amylase inhibitor activity
Similarity search - Function
Alpha-amylase inhibitor / Alpha-amylase inhibitor / Alpha-amylase inhibitor superfamily / Alpha amylase inhibitor / Alpha amylase inhibitor / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Alpha-amylase inhibitor HOE-467A
Similarity search - Component
Biological speciesStreptomyces tendae (bacteria)
MethodSOLUTION NMR
AuthorsBilleter, M. / Schaumann, T. / Braun, W. / Wuthrich, K.
Citation
Journal: Biopolymers / Year: 1990
Title: Restrained Energy Refinement with Two Different Algorithms and Force Fields of the Structure of the Alpha-Amylase Inhibitor Tendamistat Determined by NMR in Solution
Authors: Billeter, M. / Schaumann, T. / Braun, W. / Wuthrich, K.
#1: Journal: J.Mol.Biol. / Year: 1988
Title: Determination of the Complete Three-Dimensional Structure of the Alpha-Amylase Inhibitor Tendamistat in Aqueous Solution by Nuclear Magnetic Resonance and Distance Geometry
Authors: Kline, A.D. / Braun, W. / Wuthrich, K.
#2: Journal: J.Mol.Biol. / Year: 1986
Title: Complete Sequence-Specific 1H Nuclear Magnetic Resonance Assignments for the Alpha-Amylase Polypeptide Inhibitor Tendamistat from Streptomyces Tendae
Authors: Kline, A.D. / Wuthrich, K.
#3: Journal: J.Mol.Biol. / Year: 1986
Title: Studies by 1H Nuclear Magnetic Resonance and Distance Geometry of the Solution Conformation of Tendamistat an Alpha Amylase Inhibitor
Authors: Kline, A.D. / Braun, W. / Wuthrich, K.
#4: Journal: J.Mol.Biol. / Year: 1985
Title: Secondary Structure of the Alpha-Amylase Polypeptide Inhibitor Tendamistat from Streptomyces Tendae Determined in Solution by 1H Nuclear Magnetic Resonance
Authors: Kline, A.D. / Wuthrich, K.
History
DepositionMay 14, 1990Processing site: BNL
Revision 1.0Apr 15, 1991Provider: repository / Type: Initial release
Revision 1.1Mar 3, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 29, 2017Group: Derived calculations / Other
Category: pdbx_database_status / pdbx_struct_assembly ...pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conf
Item: _pdbx_database_status.process_site

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Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: TENDAMISTAT


Theoretical massNumber of molelcules
Total (without water)7,9681
Polymers7,9681
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)1 / -
Representative

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Components

#1: Protein TENDAMISTAT


Mass: 7967.740 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptomyces tendae (bacteria) / References: UniProt: P01092

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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

SoftwareName: AMBER / Classification: refinement
NMR softwareName: FANTOM / Developer: SCHAUMANN,BRAUN,WUTHRICH / Classification: refinement
NMR ensembleConformers submitted total number: 1

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