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MolNFT v1 · #47207 · protein

Solution structure of the cytochrome C- para-aminophenol adduct

2ORL · Cytochrome C iso-1: “Solution structure of the cytochrome C- para-aminophenol adduct”. Solution nmr, 2 ligands (HEC, 4NL), 1 pocket (best druggability 0.79). MolNFT v1 #47207 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2ORL
Type
protein
Length
108 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C iso-1
UniProt
P00044
Ligands
HEC, 4NL
Pockets
1 · best druggability 0.79

Structure

solution nmr · 1 distinct chain · 35% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C iso-1protein10835% helix, 4% strandP00044

Ligands and binding sites

  • HEC · Heme C · ligand · chains A
  • 4NL · 4-aminophenol · ligand · 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
12320.790.9240HEC

Modifications

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

Compared structures

  • 2ORL · Solution structure of the cytochrome c- para-aminophenol adduct · 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 0.90

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