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Structural basis for the iron uptake mechanism of helicobacter pylori ferritin

Analyse Structural basis for the iron uptake mechanism of helicobacter pylori ferritin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BVL
Type
protein
Length
1,033 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferritin
EC
1.16.3.1
UniProt
Q9ZLI1
Ligands
FE
Pockets
11 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EFerritin (EC 1.16.3.1)protein17276% helix, 1% strandQ9ZLI1
FFerritin (EC 1.16.3.1)protein17376% helix, 1% strandQ9ZLI1

Ligands and binding sites

  • FE · Fe (III) ion · metal · 16 copies · chains A, B, D, C, E, F
  • GOL · Glycerol · additive · 3 copies · chains B, E, C, D, A, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12010.490.7626empty
21700.490.7723empty
31430.480.7824empty
41180.480.7925empty
5590.390.8013empty

Interfaces

8 interfaces between chains.

  • C–D · 1442 Ų buried · 11 hydrogen bonds · protein-protein
  • B–E · 1436 Ų buried · 10 hydrogen bonds · protein-protein
  • A–F · 1412 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 821 Ų buried · 11 hydrogen bonds · protein-protein
  • D–E · 817 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 3BVL · Structural basis for the iron uptake mechanism of Helicobacter pylori ferritin · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9ZLI1 · AlphaFold monomer V2.0 prediction for bacterial non-heme ferritin (Q9ZLI1) · a predicted model of the same protein · chain F against A, TM-score 0.96

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