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MolNFT v1 · #185345 · protein

Cocrystal form II of a cytochrome C, sulfonato-THIACALIX[4]ARENE - zinc cluster

7PR4 · Cytochrome C iso-1: “Cocrystal form II of a cytochrome C, sulfonato-THIACALIX[4]ARENE - zinc cluster”. X-ray diffraction, 4 ligands (HEC, 80M, ZN), 1 pocket (best druggability 0.77). MolNFT v1 #185345 on GenesisL1: 3D structure…

PDB
7PR4
Type
protein
Length
107 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C iso-1
UniProt
P00044
Ligands
HEC, 80M, ZN, PO4
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C iso-1protein10741% helix, 2% strandP00044

Ligands and binding sites

  • HEC · Heme C · ligand · chains A
  • 80M · sulfonato-thiacalix[4]arene · ligand · chains A
  • ZN · Zinc ion · metal · 6 copies
  • PO4 · Phosphate ion · ion · 3 copies

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
12000.770.9236HEC

Modifications

Observed in the structure: 2 cofactor (heme c attachment).

Compared structures

  • 7PR4 · Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster · the same entry in another collection · chain A against A, TM-score 1.00
  • P00044 · AlphaFold monomer V2.0 prediction for cytochrome C isoform 1 (P00044) · a predicted model of the same protein · chain A against A, TM-score 0.99

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