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Structure of the lifeact-F-actin complex

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

PDB
7AD9
Type
protein
Length
1,970 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lifeact; Actin, alpha skeletal muscle; Phalloidin
UniProt
P68135
Ligands
ADP, MG, PO4
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 3 distinct chains · 44% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, L, E, GLifeactprotein1681% helix, 0% strand—
B, D, H, F, IActin, alpha skeletal muscleprotein37143% helix, 19% strandP68135
O, P, Q, R, SPhalloidinprotein70% helix, 0% strand—

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains B, D, H, F, I
  • MG · Magnesium ion · metal · 5 copies · chains B, D, H, F, I
  • PO4 · Phosphate ion · ion · 5 copies · chains B, D, H, F, I

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16140.840.8869empty
211630.830.8495empty
35780.830.8865empty
43600.790.8952ADP, MG, PO4
53710.790.8853ADP, MG, PO4

Interfaces

28 interfaces between chains.

  • H–I · 1287 Ų buried · 16 hydrogen bonds · protein-protein
  • B–H · 1284 Ų buried · 18 hydrogen bonds · protein-protein
  • D–F · 1269 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 498 Ų buried · 4 hydrogen bonds · protein-protein
  • G–I · 494 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 modified, 5 d-amino (D-amino acid, hydroxylation, methylation, nonstandard).

Compared structures

  • 7AD9 · Structure of the Lifeact-F-actin complex · the same entry in another collection · chain S against S, TM-score 1.00

Analyse

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