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Crystal structure of type I cytochrome C3 from desulfovibrio africanus

Analyse Crystal structure of type I cytochrome C3 from desulfovibrio africanus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BQ4
Type
protein
Length
229 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Basic cytochrome C3
UniProt
P94691
Ligands
HEC, CA
Pockets
2 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABasic cytochrome C3protein11432% helix, 7% strandP94691
BBasic cytochrome C3protein11530% helix, 7% strandP94691

Ligands and binding sites

  • HEC · Heme C · ligand · 8 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17490.780.8277HEC
27340.760.8178HEC

Interfaces

1 interface between chains.

  • A–B · 45 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 14 cofactor (heme c attachment).

Compared structures

  • 2BQ4 · Crystal structure of type I cytochrome c3 from Desulfovibrio africanus · the same entry in another collection · chain A against A, TM-score 1.00
  • P94691 · AlphaFold monomer V2.0 prediction for basic cytochrome C3 (P94691) · a predicted model of the same protein · chain A against A, TM-score 0.99

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