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The first crystal structure of crustacean ferritin that is a hybrid type of H and L ferritin

Analyse The first crystal structure of crustacean ferritin that is a hybrid type of H… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6A4U
Type
protein
Length
1,014 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferritin
EC
1.16.3.1
UniProt
T2B7E1
Ligands
MG, SO4, CL
Pockets
14 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FFerritin (EC 1.16.3.1)protein16974% helix, 1% strandT2B7E1

Ligands and binding sites

  • MG · Magnesium ion · metal · 5 copies · chains C, D, F
  • SO4 · Sulfate ion · ion · 13 copies · chains A, C, D, B, E, F
  • CL · Chloride ion · ion · chains B, E
  • EDO · 1,2-ethanediol · additive · 50 copies · chains A, D, F, B, C, E

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15200.800.8775EDO
210070.790.8075SO4
3910.780.9815SO4
4870.760.9717SO4
5890.750.9716SO4

Interfaces

9 interfaces between chains.

  • A–D · 1402 Ų buried · 23 hydrogen bonds · protein-protein
  • C–F · 1394 Ų buried · 24 hydrogen bonds · protein-protein
  • B–E · 1378 Ų buried · 28 hydrogen bonds · protein-protein
  • B–F · 734 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 564 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 6A4U · The first crystal structure of crustacean ferritin that is a hybrid type of H and L… · the same entry in another collection · chain A against A, TM-score 1.00

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