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Solution structure of the yeast iso-1-cytochrome C (T12A) : yeast cytochrome C peroxidase complex

Analyse Solution structure of the yeast iso-1-cytochrome C (T12A) : yeast cytochrome C… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2JTI
Type
protein
Length
397 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C peroxidase, mitochondrial; Cytochrome C iso-1
EC
1.11.1.5
UniProt
P00431, P00044
Ligands
HEM, HEC
Pockets
4 · best druggability 0.82

Structure

solution nmr · 2 distinct chains · 46% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C peroxidase, mitochondrial (EC 1.11.1.5)protein29450% helix, 7% strandP00431
BCytochrome C iso-1protein10334% helix, 0% strandP00044

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • HEC · Heme C · ligand · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14430.820.9042HEM
24360.810.8857HEC
31970.710.8834empty
4720.330.7520empty

Interfaces

1 interface between chains.

  • A–B · 787 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor (heme c attachment).

Compared structures

  • 2JTI · Solution structure of the yeast iso-1-cytochrome c (T12A) : yeast cytochrome c peroxidase… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00431 · AlphaFold monomer V2.0 prediction for cytochrome C peroxidase, mitochondrial (P00431) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P00044 · AlphaFold monomer V2.0 prediction for cytochrome C isoform 1 (P00044) · a predicted model of the same protein · chain B against A, TM-score 0.97

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