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MolNFT v1 · #87866 · protein

Spectroscopically-validated structure of cytochrome C prime from alcaligenes xylosoxidans, reduced by X-ray irradiation at 100K

4CDV · Cytochrome C': “Spectroscopically-validated structure of cytochrome C prime from alcaligenes xylosoxidans, reduced by X-ray…”. X-ray diffraction, 2 ligands (HEC, SO4), 1 pocket (best druggability 0.65). MolNFT v1 #87866 on…

PDB
4CDV
Type
protein
Length
126 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C'
UniProt
P00138
Ligands
HEC, SO4
Pockets
1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C'protein12673% helix, 2% strandP00138

Ligands and binding sites

  • HEC · Heme C · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12000.650.8429HEC

Modifications

Observed in the structure: 2 cofactor, 1 modified (heme c attachment, cyclization).

Compared structures

  • 4CDV · Spectroscopically-validated structure of cytochrome c prime from Alcaligenes… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00138 · AlphaFold monomer V2.0 prediction for cytochrome C' (P00138) · a predicted model of the same protein · chain A against A, TM-score 0.98

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