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MolNFT v1 · #185252 · protein

Cryo-EM structure of the actomyosin-V complex in the strong-ADP state (central 1ER, class 5)

7PMA · Phalloidin: “Cryo-EM structure of the actomyosin-V complex in the strong-ADP state (central 1ER, class 5)”. Electron microscopy, 2 ligands (ADP, MG), 11 pockets (best druggability 0.79). MolNFT v1 #185252 on GenesisL1: 3D structure…

PDB
7PMA
Type
protein
Length
1,250 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phalloidin; Myosin light chain 6B; Unconventional myosin-va; Actin, alpha skeletal muscle
UniProt
P14649, Q02440, P68135
Ligands
ADP, MG
Pockets
11 · best druggability 0.79

Structure

electron microscopy · 4 distinct chains · 48% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HPhalloidinprotein70% helix, 0% strand—
BMyosin light chain 6Bprotein13961% helix, 7% strandP14649
AUnconventional myosin-vaprotein73248% helix, 17% strandQ02440
CActin, alpha skeletal muscleprotein37244% helix, 19% strandP68135

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, C
  • MG · Magnesium ion · metal · 2 copies · chains A, C

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111420.790.8181empty
27060.750.8083empty
33510.740.8549ADP, MG
44550.700.8171MG, ADP
53420.620.7842empty

Interfaces

3 interfaces between chains.

  • B–A · 1432 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 998 Ų buried · 10 hydrogen bonds · protein-protein
  • H–C · 248 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified, 1 d-amino (D-amino acid, hydroxylation, methylation, nonstandard).

Compared structures

  • 7PMA · Cryo-EM structure of the actomyosin-V complex in the strong-ADP state (central 1er, class… · the same entry in another collection · chain H against H, 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 0.96
  • Q02440 · AlphaFold monomer V2.0 prediction for unconventional myosin-va (Q02440) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • P14649 · AlphaFold monomer V2.0 prediction for myosin light chain 6B (P14649) · a predicted model of the same protein · chain B against A, TM-score 0.94

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