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MolNFT v1 · #115550 · protein

Ultrafast dynamics in myoglobin: 0 ps time delay

5CN5: “Ultrafast dynamics in myoglobin: 0 ps time delay”. X-ray diffraction, 3 ligands (HEM, SO4, CMO), 1 pocket (best druggability 0.73). MolNFT v1 #115550 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5CN5
Type
protein
Length
152 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P68082
Ligands
HEM, SO4, CMO
Pockets
1 · best druggability 0.73

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein15276% helix, 0% strandP68082

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • CMO · Carbon monoxide · ion · 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
12350.730.8731HEM, CMO

Compared structures

  • 5CN5 · Ultrafast dynamics in myoglobin: 0 ps time delay · the same entry in another collection · chain A against A, TM-score 1.00

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