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Crystal structure of notched-fin eelpout type III antifreeze protein (NFE6, afp), P212121 form

Analyse Crystal structure of notched-fin eelpout type III antifreeze protein (NFE6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XQP
Type
protein
Length
259 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ice-structuring protein
UniProt
Q53UJ4
Ligands
SO4
Pockets
1 · best druggability 0.43

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, DIce-structuring proteinprotein6520% helix, 25% strandQ53UJ4
CIce-structuring proteinprotein6419% helix, 25% strandQ53UJ4

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.430.7436empty

Interfaces

4 interfaces between chains.

  • A–B · 439 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 245 Ų buried · 1 hydrogen bond · protein-protein
  • C–D · 100 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 12 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5XQP · Crystal structure of Notched-fin eelpout type III antifreeze protein (NFE6, AFP), P212121… · the same entry in another collection · chain A against A, TM-score 1.00

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