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Acanthamoeba actin complex with spir domain D

Analyse Acanthamoeba actin complex with spir domain D in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4EFH
Type
protein
Length
384 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin-1; Protein spire
UniProt
P02578, Q9U1K1
Ligands
ADP, CA
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin-1protein36443% helix, 20% strandP02578
BProtein spireprotein2055% helix, 5% strandQ9U1K1

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14670.740.8352CA, ADP
22030.590.8130empty

Interfaces

1 interface between chains.

  • A–B · 856 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 4EFH · Acanthamoeba Actin complex with Spir domain D · the same entry in another collection · chain A against A, TM-score 1.00
  • P02578 · AlphaFold monomer V2.0 prediction for actin-1 (P02578) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q9U1K1 · AlphaFold monomer V2.0 prediction for protein spire (Q9U1K1) · a predicted model of the same protein · chain B against A, TM-score 0.51

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