- PDB-1cw6: REFINED SOLUTION STRUCTURE OF LEUCOCIN A -
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Open data
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Basic information
Entry
Database: PDB / ID: 1cw6
Title
REFINED SOLUTION STRUCTURE OF LEUCOCIN A
Components
TYPE IIA BACTERIOCIN LEUCOCIN A
Keywords
TOXIN / ANTIMICROBIAL PEPTIDE / BACTERIOCIN
Function / homology
Bacteriocin class IIa domain superfamily / Bacteriocin, class IIa / Bacteriocin, class IIa, conserved site / Class II bacteriocin / Bacteriocin class IIa family signature. / killing of cells of another organism / defense response to bacterium / extracellular region / Bacteriocin leucocin-A
STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY,STRUCTURES WITH FAVORABLE NON- BOND ENERGY,STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS,STRUCTURES WITH THE LOWEST ENERGY
Representative
Model #9
closest to the average
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Components
#1: Protein/peptide
TYPEIIABACTERIOCINLEUCOCINA
Mass: 3937.323 Da / Num. of mol.: 1 / Fragment: LEUCOCIN A-UAL 187 / Source method: isolated from a natural source / Source: (natural) Leuconostoc gelidum (bacteria) / References: UniProt: P34034
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Type: 2D NOESY
NMR details
Text: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES. THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY.
Method: simulated annealing / Software ordinal: 1 Details: THE REFINED STRUCTURES ARE BASED ON A TOTAL OF 434 INTERPROTON DISTANCE RESTRAINTS, 27 3JHNHA COUPLING CONSTANT RESTRAINTS, AND 136 PROTON CHEMICAL SHIFT RESTRAINTS
NMR representative
Selection criteria: closest to the average
NMR ensemble
Conformer selection criteria: STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY,STRUCTURES WITH FAVORABLE NON- BOND ENERGY,STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS,STRUCTURES WITH THE LOWEST ENERGY Conformers calculated total number: 18 / Conformers submitted total number: 18
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