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MolNFT v1 · #142665 · protein

Human XRCC4 and IFFO1 complex

6ABO · DNA repair protein XRCC4: “Human XRCC4 and IFFO1 complex”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.34). MolNFT v1 #142665 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6ABO
Type
protein
Length
290 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA repair protein XRCC4; Intermediate filament family orphan 1
UniProt
Q13426, Q0D2I5
Ligands
SO4
Pockets
1 · best druggability 0.34

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA repair protein XRCC4protein21355% helix, 24% strandQ13426
BIntermediate filament family orphan 1protein7794% helix, 0% strandQ0D2I5

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.340.7516empty

Interfaces

1 interface between chains.

  • A–B · 1404 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6ABO · human XRCC4 and IFFO1 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q13426 · AlphaFold monomer V2.0 prediction for DNA repair protein XRCC4 (Q13426) · a predicted model of the same protein · chain A against A, TM-score 0.86
  • Q0D2I5 · AlphaFold monomer V2.0 prediction for non-homologous end joining factor IFFO1 (Q0D2I5) · a predicted model of the same protein · chain B against A, TM-score 0.83

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