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MolNFT v1 · #75348 · protein

Crystal structure of D14C [3FE-4S] pyrococcus furiosus ferredoxin

3PNI: “Crystal structure of D14C [3FE-4S] pyrococcus furiosus ferredoxin”. X-ray diffraction, 2 ligands (F3S, CO), 1 pocket (best druggability 0.31). MolNFT v1 #75348 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3PNI
Type
protein
Length
132 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferredoxin
UniProt
P29603
Ligands
F3S, CO
Pockets
1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFerredoxinprotein6620% helix, 26% strandP29603

Ligands and binding sites

  • F3S · FE3-S4 cluster · ligand · 2 copies · chains A, B
  • CO · Cobalt (II) ion · metal · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1640.310.7516empty

Interfaces

1 interface between chains.

  • A–B · 345 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3PNI · Crystal structure of D14C [3Fe-4S] Pyrococcus furiosus ferredoxin · the same entry in another collection · chain A against A, TM-score 1.00
  • P29603 · AlphaFold monomer V2.0 prediction for ferredoxin (P29603) · a predicted model of the same protein · chain A against A, TM-score 0.97

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