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MolNFT v1 · #76480 · protein

Blackfin tuna oxy-myoglobin, atomic resolution

3QM5: “Blackfin tuna oxy-myoglobin, atomic resolution”. X-ray diffraction, 3 ligands (ACE, HEM, OXY), 1 pocket (best druggability 0.73). MolNFT v1 #76480 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3QM5
Type
protein
Length
145 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
Ligands
ACE, HEM, OXY
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyoglobinprotein14572% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A
  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • OXY · Oxygen molecule · ion · chains A
  • EDO · 1,2-ethanediol · additive · 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
12700.730.8632HEM, OXY

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 3QM5 · Blackfin tuna oxy-myoglobin, atomic resolution · the same entry in another collection · chain A against A, TM-score 1.00

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