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MolNFT v1 · #121489 · protein

APOBEC3F catalytic domain crystal structure

5HX5 · DNA dc->du-editing enzyme apobec-3F: “APOBEC3F catalytic domain crystal structure”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.67). MolNFT v1 #121489 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5HX5
Type
protein
Length
342 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA dc->du-editing enzyme apobec-3F
EC
3.5.4.-
UniProt
Q8IUX4
Ligands
ZN
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA dc->du-editing enzyme apobec-3F (EC 3.5.4.-)protein17443% helix, 25% strandQ8IUX4
BDNA dc->du-editing enzyme apobec-3F (EC 3.5.4.-)protein16842% helix, 24% strandQ8IUX4

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16050.670.7758empty
2840.420.7919empty
3800.370.7716empty
4880.350.7418empty

Interfaces

1 interface between chains.

  • A–B · 403 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 5HX5 · APOBEC3F Catalytic Domain Crystal Structure · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IUX4 · AlphaFold monomer V2.0 prediction for DNA dc->du-editing enzyme apobec-3F (Q8IUX4) · a predicted model of the same protein · chain B against A, TM-score 0.99

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