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MolNFT v1 · #82412 · protein

Dimeric horse myoglobin

3VM9: “Dimeric horse myoglobin”. X-ray diffraction, 2 ligands (HEM, O), 4 pockets (best druggability 0.72). MolNFT v1 #82412 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3VM9
Type
protein
Length
306 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myoglobin
UniProt
P68082
Ligands
HEM, O
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMyoglobinprotein15380% helix, 0% strandP68082

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • O · Oxygen atom · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11880.720.8825O, HEM
21910.720.8826HEM, O
31620.450.7623empty
4800.390.7819empty

Interfaces

1 interface between chains.

  • A–B · 2950 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 3VM9 · Dimeric horse myoglobin · the same entry in another collection · chain A against A, TM-score 1.00

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