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X-ray snapshots of possible intermediates in the time course of synthesis and degradation of protein-bound FE4S4 clusters.

Analyse X-ray snapshots of possible intermediates in the time course of synthesis and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JYD
Type
protein
Length
347 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fefe-hydrogenase maturase
UniProt
Q9X0Z6
Ligands
1N7, SF4, SAH, CPS, FE, BR, H2S
Pockets
2 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFefe-hydrogenase maturaseprotein34743% helix, 13% strandQ9X0Z6

Ligands and binding sites

  • 1N7 · Chapso · ligand · 4 copies · chains A
  • SF4 · Iron/sulfur cluster · ligand · chains A
  • SAH · S-adenosyl-L-homocysteine · ligand · chains A
  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A
  • FE · Fe (III) ion · metal · chains A
  • BR · Bromide ion · ion · 4 copies · chains A
  • H2S · Hydrosulfuric acid · ion · 2 copies · chains 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
14550.870.9465SF4, SAH, BR
2510.320.7715empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 4JYD · X-ray snapshots of possible intermediates in the time course of synthesis and degradation… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X0Z6 · AlphaFold monomer V2.0 prediction for [fefe] hydrogenase maturase subunit hyde (Q9X0Z6) · a predicted model of the same protein · chain A against A, TM-score 1.00

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