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MolNFT v1 · #50131 · protein

Crystal structure of human xlf

2R9A · Non-homologous end-joining factor 1: “Crystal structure of human xlf”. X-ray diffraction, 4 pockets (best druggability 0.63). MolNFT v1 #50131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2R9A
Type
protein
Length
433 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-homologous end-joining factor 1
UniProt
Q9H9Q4
Pockets
4 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANon-homologous end-joining factor 1protein21948% helix, 26% strandQ9H9Q4
BNon-homologous end-joining factor 1protein21449% helix, 26% strandQ9H9Q4

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.630.9026empty
2640.390.7917empty
3830.370.7617empty
4510.280.7513empty

Interfaces

1 interface between chains.

  • A–B · 3369 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (engineered).

Compared structures

  • 2R9A · Crystal structure of human XLF · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H9Q4 · AlphaFold monomer V2.0 prediction for non-homologous end-joining factor 1 (Q9H9Q4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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