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The dimeric structure of G80A/H81A myoglobin

Analyse The dimeric structure of G80A/H81A myoglobin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7V5P
Type
protein
Length
306 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.16
Source
Equus caballus
Molecule
Myoglobin
UniProt
P68082
Ligands
HEM, O
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · resolution 1.16 · 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
11920.720.8826O, HEM
21890.710.8826HEM, O
31590.440.7623empty
4690.360.7714empty

Interfaces

1 interface between chains.

  • A–B · 2937 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7V5P · The dimeric structure of G80A/H81A myoglobin · the same entry in another collection · chain A against A, TM-score 1.00
  • P68082 · AlphaFold monomer V2.0 prediction for myoglobin (P68082) · a predicted model of the same protein · chain A against A, TM-score 0.51

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