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Crystal structure of octaheme cytochrome C from shewanella oneidensis

Analyse Crystal structure of octaheme cytochrome C from shewanella oneidensis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1SP3
Type
protein
Length
436 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C, putative
UniProt
Q8E9W8
Ligands
HEC, SCN
Pockets
4 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C, putativeprotein43625% helix, 17% strandQ8E9W8

Ligands and binding sites

  • HEC · Heme C · ligand · 8 copies · chains A
  • SCN · Thiocyanate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110310.870.88112SCN, HEC
21370.690.8928HEC
3840.460.8127empty
4510.330.7813empty

Modifications

Observed in the structure: 16 cofactor (heme c attachment).

Compared structures

  • 1SP3 · Crystal structure of octaheme cytochrome c from Shewanella oneidensis · the same entry in another collection · chain A against A, TM-score 1.00

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