› 4ny6

Hybrid

Neutron structure of leucine and valine methyl protonated type III antifreeze

Released:
DOI: 10.2210/pdb4ny6/pdb
PDB entry 4ny6 coloured by chain, front view.
PDB entry 4ny6 coloured by chain, side view.
PDB entry 4ny6 coloured by chain, top view.
Source organism: Zoarces americanus
Primary publication:
Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography.
Fisher SJ, Blakeley MP, Howard EI, Petit-Haertlein I, Haertlein M, Mitschler A, Cousido-Siah A, Salvay AG, Popov A, Muller-Dieckmann C, Petrova T, Podjarny A
Acta Crystallogr D Biol Crystallogr 70 3266-72 (2014)
PMID: 25478844

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148668 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Type-3 ice-structuring protein HPLC 12 Chain: A
Molecule details ›
Chain: A
Length: 65 amino acids
Theoretical weight: 6.89 KDa
Source organism: Zoarces americanus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P19614 (Residues: 1-63; Coverage: 96%)
Structure domains: Antifreeze-like/N-acetylneuraminic acid synthase C-terminal domain

Ligands and Environments

1 bound ligand:
Ligand DOD 42 x DOD
No modified residues

Experiments and Validation Details

Experimental Method: Neutron Diffraction, X-ray diffraction
Spacegroup: P212121
Unit cell:
a: 32.73Å b: 39.12Å c: 46.54Å α: 90° β: 90° γ: 90°
R-values:
R R work R free 0.171 0.176 0.188
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Neutron Crystallography for the Study of Hydrogen Bonds in Macromolecules.
Oksanen et al. (2017)
6 other articles

4 mentions without citation

Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition.
Liebschner et al. (2018)
3 more