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MolNFT v1 · #176809 · protein

Thermotoga maritima ferritin mutant-flal

7DY8: “Thermotoga maritima ferritin mutant-flal”. X-ray diffraction, 2 ligands (CA, FE), 2 pockets (best druggability 0.70). MolNFT v1 #176809 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7DY8
Type
protein
Length
325 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferritin
EC
1.16.3.2
UniProt
Q9X0L2
Ligands
CA, FE
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HFerritin (EC 1.16.3.2)protein16379% helix, 1% strandQ9X0L2
AFerritin (EC 1.16.3.2)protein16278% helix, 1% strandQ9X0L2

Ligands and binding sites

  • CA · Calcium ion · metal · 5 copies · chains H, A
  • FE · Fe (III) ion · metal · 4 copies · chains H, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12280.700.8626empty
2630.310.7517CA

Interfaces

1 interface between chains.

  • H–A · 1281 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 7DY8 · Thermotoga maritima ferritin mutant-FLAL · the same entry in another collection · chain H against H, TM-score 1.00

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