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MolNFT v1 · #38967 · protein

Crystal structure of monomeric actin in the ADP bound state

2HF3 · Actin-5C: “Crystal structure of monomeric actin in the ADP bound state”. X-ray diffraction, 2 ligands (ADP, CA), 2 pockets (best druggability 0.73). MolNFT v1 #38967 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2HF3
Type
protein
Length
364 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin-5C
UniProt
P10987
Ligands
ADP, CA
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin-5Cprotein36446% helix, 19% strandP10987

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
14890.730.8255CA, ADP
21940.530.7729empty

Compared structures

  • 2HF3 · Crystal structure of monomeric Actin in the ADP bound state · the same entry in another collection · chain A against A, TM-score 1.00
  • P10987 · AlphaFold monomer V2.0 prediction for actin-5C (P10987) · a predicted model of the same protein · chain A against A, TM-score 0.98

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