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Nitrosyl complex of the D121Q variant of cytochrome C prime from alcaligenes xylosoxidans

Analyse Nitrosyl complex of the D121Q variant of cytochrome C prime from alcaligenes… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5AGF
Type
protein
Length
125 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C prime
UniProt
P00138
Ligands
HEC, NO, SO4
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C primeprotein12574% helix, 2% strandP00138

Ligands and binding sites

  • HEC · Heme C · ligand · chains A
  • NO · Nitric oxide · ion · 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
12430.660.8330HEC, NO

Modifications

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

Compared structures

  • 5AGF · Nitrosyl complex of the D121Q variant of cytochrome c prime from Alcaligenes xylosoxidans · 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 0.99

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