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Structure of rabbit actin in complex with Mycalolide B

Analyse Structure of rabbit actin in complex with Mycalolide B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MGO
Type
protein
Length
359 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.2
Source
Oryctolagus cuniculus
Molecule
Actin, alpha skeletal muscle
UniProt
P68135
Ligands
JQV, ADP, CA
Pockets
2 · best druggability 0.72

Structure

x-ray diffraction · resolution 2.2 · 1 distinct chain · 44% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin, alpha skeletal muscleprotein35944% helix, 19% strandP68135

Ligands and binding sites

  • JQV · Mycalolide B · ligand · chains A
  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13740.720.8454CA, ADP
21280.430.7524empty

Compared structures

  • 6MGO · Structure of rabbit actin in complex with mycalolide B · the same entry in another collection · chain A against A, TM-score 1.00
  • P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain A against A, TM-score 0.98

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