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Cryo-EM structure of the ADP state actin filament

Analyse Cryo-EM structure of the ADP state actin filament in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7R8V
Type
protein
Length
1,855 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle, intermediate form
UniProt
P68139
Ligands
ADP, MG
Pockets
17 · best druggability 0.82

Structure

electron microscopy · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, A, C, D, EActin, alpha skeletal muscle, intermediate formprotein37143% helix, 20% strandP68139

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains B, A, C, D, E
  • MG · Magnesium ion · metal · 5 copies · chains B, A, C, D, E

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

Pockets

17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19730.820.8389empty
27650.800.8381empty
32780.780.9054ADP, MG
42850.770.8955ADP, MG
53640.760.8759ADP, MG

Interfaces

7 interfaces between chains.

  • D–E · 1224 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 1224 Ų buried · 13 hydrogen bonds · protein-protein
  • B–A · 1217 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 446 Ų buried · 4 hydrogen bonds · protein-protein
  • B–E · 445 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified (methylation).

Compared structures

  • 7R8V · Cryo-EM structure of the ADP state actin filament · the same entry in another collection · chain E against E, TM-score 1.00
  • P68139 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68139) · a predicted model of the same protein · chain D against A, TM-score 0.96

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