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Dimeric aquifex aeolicus cytochrome C555

Analyse Dimeric aquifex aeolicus cytochrome C555 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3X15
Type
protein
Length
348 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C552
UniProt
O67504
Ligands
HEC
Pockets
3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, G, JCytochrome C552protein8756% helix, 2% strandO67504

Ligands and binding sites

  • HEC · Heme C · ligand · 4 copies · chains A, D, G, J

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111590.850.85121HEC
22450.740.8836HEC
3760.300.7312empty

Interfaces

6 interfaces between chains.

  • D–J · 2251 Ų buried · 8 hydrogen bonds · protein-protein
  • A–G · 2239 Ų buried · 10 hydrogen bonds · protein-protein
  • G–J · 198 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 148 Ų buried · 0 hydrogen bonds · protein-protein
  • A–J · 110 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 cofactor (heme c attachment).

Compared structures

  • 3X15 · Dimeric Aquifex aeolicus cytochrome c555 · the same entry in another collection · chain A against A, TM-score 1.00

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