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MolNFT v1 · #41094 · protein

Crystal structure of the zn-soaked ferritin from the hyperthermophilic archaeal anaerobe pyrococcus furiosus

2JD8 · Ferritin homolog: “Crystal structure of the zn-soaked ferritin from the hyperthermophilic archaeal anaerobe pyrococcus furiosus”. X-ray diffraction, 3 ligands (ZN, FE, SO4), 20 pockets (best druggability 0.84). MolNFT v1 #41094 on…

PDB
2JD8
Type
protein
Length
6,012 residues
Chains
36
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferritin homolog
UniProt
Q8U2T8
Ligands
ZN, FE, SO4
Pockets
20 · best druggability 0.84

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
0, 1, 2, 3, 4, 5, 6, 7, 8, 9, A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, ZFerritin homologprotein16775% helix, 1% strandQ8U2T8

Ligands and binding sites

  • ZN · Zinc ion · metal · 72 copies · chains 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z
  • FE · Fe (III) ion · metal · 36 copies · chains 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z
  • SO4 · Sulfate ion · ion · 44 copies · chains 1, 2, 3, D, 4, 8, 5, 6, 0, 7, 9, A, C, B, E, G, U, Y, F, X, H, R, I, J, K, M, O, P, L, Q, S, T, V, W, Z

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110100.840.85101empty
22590.840.9531empty
32300.840.9629empty
42240.840.9528empty
52320.830.9528empty

Interfaces

93 interfaces between chains.

  • 6–O · 1612 Ų buried · 21 hydrogen bonds · protein-protein
  • C–U · 1605 Ų buried · 22 hydrogen bonds · protein-protein
  • 3–L · 1602 Ų buried · 21 hydrogen bonds · protein-protein
  • H–Z · 1595 Ų buried · 21 hydrogen bonds · protein-protein
  • 2–K · 1592 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 2JD8 · Crystal Structure of the Zn-soaked Ferritin from the Hyperthermophilic Archaeal Anaerobe… · the same entry in another collection · chain 1 against 1, TM-score 1.00

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