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MolNFT v1 · #61078 · protein

Structure of the actin-depolymerizing factor homology domain in complex with actin

3DAW · Actin, alpha skeletal muscle: “Structure of the actin-depolymerizing factor homology domain in complex with actin”. X-ray diffraction, 2 ligands (ATP, CA), 3 pockets (best druggability 0.74). MolNFT v1 #61078 on GenesisL1: 3D…

PDB
3DAW
Type
protein
Length
512 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle; Twinfilin-1
UniProt
P68135, Q91YR1
Ligands
ATP, CA
Pockets
3 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin, alpha skeletal muscleprotein37241% helix, 20% strandP68135
BTwinfilin-1protein14033% helix, 31% strandQ91YR1

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15090.740.8360CA, ATP
21600.650.8530empty
32850.630.8040empty

Interfaces

1 interface between chains.

  • A–B · 1273 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 3DAW · Structure of the actin-depolymerizing factor homology domain in complex with actin · the same entry in another collection · chain A against A, TM-score 1.00
  • Q91YR1 · AlphaFold monomer V2.0 prediction for twinfilin-1 (Q91YR1) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain A against A, TM-score 0.93

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