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MolNFT v1 · #73201 · protein

Crystal structure and mutational analysis of the NXF2/NXT1 heterodimeric complex from caenorhabditis elegans at 1.84 a resolution

3NV0 · Nuclear RNA export factor 2: “Crystal structure and mutational analysis of the NXF2/NXT1 heterodimeric complex from caenorhabditis elegans…”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.59). MolNFT v1 #73201 on…

PDB
3NV0
Type
protein
Length
332 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear RNA export factor 2; NTF2-related export protein
UniProt
Q9XVS8, Q9U757
Ligands
NA
Pockets
3 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear RNA export factor 2protein19635% helix, 28% strandQ9XVS8
BNTF2-related export proteinprotein13635% helix, 43% strandQ9U757

Ligands and binding sites

  • NA · Sodium ion · metal · 19 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains A
  • BME · Beta-mercaptoethanol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1750.590.8919BME
22280.540.7737PEG, NA
3680.310.7415empty

Interfaces

1 interface between chains.

  • A–B · 1883 Ų buried · 29 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 3NV0 · Crystal structure and mutational analysis of the NXF2/NXT1 heterodimeric complex from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9U757 · AlphaFold monomer V2.0 prediction for NTF2-related export protein (Q9U757) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • Q9XVS8 · AlphaFold monomer V2.0 prediction for nuclear RNA export factor 2 (Q9XVS8) · a predicted model of the same protein · chain A against A, TM-score 0.95

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