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MolNFT v1 · #111046 · protein + DNA

HUAA-19BP

4YEX · DNA-binding protein hu-alpha: “HUAA-19BP”. X-ray diffraction, 2 pockets (best druggability 0.55). MolNFT v1 #111046 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4YEX
Type
protein + DNA
Length
171 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding protein hu-alpha; Synthetic DNA strand
UniProt
P0ACF2
Pockets
2 · best druggability 0.55

Structure

x-ray diffraction · 4 distinct chains · 54% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-binding protein hu-alphaprotein7054% helix, 23% strandP0ACF2
BSynthetic DNA stranddna15——
DSynthetic DNA stranddna15——
CDNA-binding protein hu-alphaprotein7154% helix, 23% strandP0ACF2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12660.550.7718empty
2520.270.7414empty

Interfaces

5 interfaces between chains.

  • A–C · 1907 Ų buried · 13 hydrogen bonds · protein-protein
  • B–D · 606 Ų buried · 34 hydrogen bonds · nucleic-nucleic
  • D–C · 133 Ų buried · 2 hydrogen bonds · protein-nucleic
  • B–C · 120 Ų buried · 1 hydrogen bond · protein-nucleic
  • A–D · 42 Ų buried · 0 hydrogen bonds · protein-nucleic

Compared structures

  • 4YEX · HUaa-19bp · the same entry in another collection · chain A against A, TM-score 1.00
  • P0ACF2 · AlphaFold monomer V2.0 prediction for DNA-binding protein hu-alpha (P0ACF2) · a predicted model of the same protein · chain C against A, TM-score 0.99

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