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Cryo-EM structure of young jasp-stabilized F-actin (central 3ER)

Analyse Cryo-EM structure of young jasp-stabilized F-actin (central 3ER) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PM3
Type
protein
Length
1,113 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle
UniProt
P68135
Ligands
ADP, 9UE, MG, PO4
Pockets
11 · best druggability 0.81

Structure

electron microscopy · 1 distinct chain · 43% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, C, DActin, alpha skeletal muscleprotein37143% helix, 19% strandP68135

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains B, C, D
  • 9UE · Jasplakinolide · ligand · 3 copies · chains B, C, D
  • MG · Magnesium ion · metal · 3 copies · chains B, C, D
  • PO4 · Phosphate ion · ion · 3 copies · chains B, C, D

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17770.810.8478empty
23430.770.8850ADP, PO4, MG
33190.750.8750ADP, PO4, MG
43120.740.8748ADP, PO4, MG
54330.730.8342empty

Interfaces

3 interfaces between chains.

  • B–D · 1016 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 484 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 478 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (methylation).

Compared structures

  • 7PM3 · Cryo-EM structure of young JASP-stabilized F-actin (central 3er) · the same entry in another collection · chain B against B, TM-score 1.00
  • P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain C against A, TM-score 0.95

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