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MolNFT v1 · #88052 · protein

Structure of crenactin, an archeal actin-like protein

4CJ7 · ACTIN/ACTIN family protein: “Structure of crenactin, an archeal actin-like protein”. X-ray diffraction, 1 ligand (ADP), 6 pockets (best druggability 0.83). MolNFT v1 #88052 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4CJ7
Type
protein
Length
852 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ACTIN/ACTIN family protein
UniProt
A3MWN5
Ligands
ADP
Pockets
6 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BACTIN/ACTIN family proteinprotein42638% helix, 20% strandA3MWN5

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110060.830.84115ADP
26950.740.8078ADP
3590.660.9415empty
41120.410.7619empty
5560.270.7414empty

Interfaces

1 interface between chains.

  • A–B · 1168 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4CJ7 · Structure of Crenactin, an archeal actin-like protein · the same entry in another collection · chain A against A, TM-score 1.00
  • A3MWN5 · AlphaFold monomer V2.0 prediction for crenactin (A3MWN5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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