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MolNFT v1 · #101630 · protein

Sperm whale myoglobin under 30 bar nitrous oxide

4NXC: “Sperm whale myoglobin under 30 bar nitrous oxide”. X-ray diffraction, 4 ligands (HEM, ZN, N2O), 1 pocket (best druggability 0.71). MolNFT v1 #101630 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4NXC
Type
protein
Length
153 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P02185
Ligands
HEM, ZN, N2O, SO4
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein15376% helix, 0% strandP02185

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • N2O · Nitrous oxide · ion · 4 copies · chains A
  • SO4 · Sulfate ion · ion · 3 copies · 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
12220.710.8629HEM, N2O

Compared structures

  • 4NXC · SPERM WHALE MYOGLOBIN UNDER 30 BAR NITROUS Oxide · the same entry in another collection · chain A against A, TM-score 1.00

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