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- PDB-2hir: SOLUTION STRUCTURE OF RECOMBINANT HIRUDIN AND THE LYS-47 (RIGHT A... -

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Entry
Database: PDB / ID: 2hir
TitleSOLUTION STRUCTURE OF RECOMBINANT HIRUDIN AND THE LYS-47 (RIGHT ARROW) GLU MUTANT. A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY
ComponentsHIRUDIN VARIANT-1
KeywordsCOAGULATION INHIBITOR
Function / homology
Function and homology information


negative regulation of serine-type peptidase activity / serine-type endopeptidase inhibitor activity / toxin activity / extracellular space
Similarity search - Function
Thrombin Inhibitor (Hirudin); Chain I / Thrombin Inhibitor (Hirudin), subunit I / Hirudin / Proteinase inhibitor I14, hirudin / Thrombin inhibitor hirudin / Hirudin/antistatin / Distorted Sandwich / Mainly Beta
Similarity search - Domain/homology
Biological speciesHirudo medicinalis (medicinal leech)
MethodSOLUTION NMR
AuthorsClore, G.M. / Gronenborn, A.M.
CitationJournal: Biochemistry / Year: 1989
Title: Solution structure of recombinant hirudin and the Lys-47----Glu mutant: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study.
Authors: Folkers, P.J. / Clore, G.M. / Driscoll, P.C. / Dodt, J. / Kohler, S. / Gronenborn, A.M.
History
DepositionDec 19, 1988Processing site: BNL
Revision 1.0Jan 15, 1990Provider: repository / Type: Initial release
Revision 1.1Mar 24, 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
Revision 1.4Oct 30, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: HIRUDIN VARIANT-1


Theoretical massNumber of molelcules
Total (without water)6,9741
Polymers6,9741
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)32 / -
Representative

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Components

#1: Protein HIRUDIN VARIANT-1


Mass: 6973.505 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Hirudo medicinalis (medicinal leech) / References: UniProt: P01050
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
X-PLORmodel building
X-PLORrefinement
X-PLORphasing
NMR softwareName: X-PLOR / Developer: BRUNGER / Classification: refinement
RefinementSoftware ordinal: 1
Details: ONLY RESIDUES 1-49 ARE WELL DEFINED. RESIDUES 50-65 FORM A DISORDERED C-TERMINAL TAIL.
NMR ensembleConformers submitted total number: 32

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