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MolNFT v1 · #10044 · protein

Tetragonal crystal structure of native horse spleen ferritin

1IES: “Tetragonal crystal structure of native horse spleen ferritin”. X-ray diffraction, 1 ligand (CD), 7 pockets (best druggability 0.78). MolNFT v1 #10044 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1IES
Type
protein
Length
1,044 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferritin
UniProt
P02791
Ligands
CD
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FFerritinprotein17475% helix, 0% strandP02791

Ligands and binding sites

  • CD · Cadmium ion · metal · 5 copies · chains A, B, C, D, E, F

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

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11670.780.9422empty
22550.570.7833CD
32490.550.7733CD
42320.550.7833empty
52010.530.7829empty

Interfaces

9 interfaces between chains.

  • B–E · 1489 Ų buried · 20 hydrogen bonds · protein-protein
  • B–F · 711 Ų buried · 11 hydrogen bonds · protein-protein
  • C–E · 703 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 699 Ų buried · 5 hydrogen bonds · protein-protein
  • D–E · 689 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 1IES · Tetragonal crystal structure of native horse spleen ferritin · the same entry in another collection · chain F against F, TM-score 1.00
  • P02791 · AlphaFold monomer V2.0 prediction for ferritin light chain (P02791) · a predicted model of the same protein · chain A against A, TM-score 0.98

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