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MolNFT v1 · #102309 · protein

C. elegans CLP1 bound to ADP and MG2+ (RNA released state)

4OHX · Protein clpf-1: “C. elegans CLP1 bound to ADP and MG2+ (RNA released state)”. X-ray diffraction, 2 ligands (ADP, MG), 4 pockets (best druggability 0.81). MolNFT v1 #102309 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4OHX
Type
protein
Length
399 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein clpf-1
UniProt
P52874
Ligands
ADP, MG
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein clpf-1protein39926% helix, 33% strandP52874

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • 2PE · Nonaethylene glycol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111490.810.8291ADP, MG
22250.530.7732empty
3720.400.7914empty
4610.380.7915empty

Compared structures

  • 4OHX · C. Elegans Clp1 bound to ADP and Mg2+ (RNA released state) · the same entry in another collection · chain A against A, TM-score 1.00
  • P52874 · AlphaFold monomer V2.0 prediction for protein clpf-1 (P52874) · a predicted model of the same protein · chain A against A, TM-score 0.99

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