GL1X · GenesisL1 explorer

MolNFT v1 · #14896 · protein

Dimethyl propionate ester heme-containing cytochrome B5

1MNY: “Dimethyl propionate ester heme-containing cytochrome B5”. Solution nmr, 1 ligand (HDM), 2 pockets (best druggability 0.56). MolNFT v1 #14896 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1MNY
Type
protein
Length
94 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome B5
UniProt
P00173
Ligands
HDM
Pockets
2 · best druggability 0.56

Structure

solution nmr · 1 distinct chain · 31% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome B5protein9431% helix, 15% strandP00173

Ligands and binding sites

  • HDM · Dimethyl propionate ester heme · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11430.560.8121HDM
2870.370.7620empty

Compared structures

  • 1MNY · Dimethyl propionate ester heme-containing cytochrome b5 · the same entry in another collection · chain A against A, TM-score 1.00
  • P00173 · AlphaFold monomer V2.0 prediction for cytochrome B5 (P00173) · a predicted model of the same protein · chain A against A, TM-score 0.85

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