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MolNFT v1 · #174532 · protein

The crystal structure of mouse ORF10-RAE1-NUP98 complex

7BYF · MRNA export factor: “The crystal structure of mouse ORF10-RAE1-NUP98 complex”. X-ray diffraction, 2 ligands (HG, NA), 18 pockets (best druggability 0.82). MolNFT v1 #174532 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7BYF
Type
protein
Length
1,577 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MRNA export factor; Peptidase S59 domain-containing protein; 10 protein
UniProt
Q8C570, Q3TPG3, O41931
Ligands
HG, NA
Pockets
18 · best druggability 0.82

Structure

x-ray diffraction · 6 distinct chains · 5% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMRNA export factorprotein3372% helix, 51% strandQ8C570
BPeptidase S59 domain-containing proteinprotein5225% helix, 21% strandQ3TPG3
F10 proteinprotein3935% helix, 47% strandO41931
C10 proteinprotein3993% helix, 46% strandO41931
DMRNA export factorprotein3393% helix, 49% strandQ8C570
EPeptidase S59 domain-containing proteinprotein5723% helix, 26% strandQ3TPG3

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 24 copies · chains A, F, C, D
  • NA · Sodium ion · metal · 4 copies · chains F, C, D

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

Pockets

18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18530.820.8468HG
29020.820.8470HG
36740.800.8586NA, HG
45090.720.8162HG
52960.670.8229HG

Interfaces

9 interfaces between chains.

  • A–B · 1517 Ų buried · 31 hydrogen bonds · protein-protein
  • D–E · 1483 Ų buried · 30 hydrogen bonds · protein-protein
  • F–D · 1344 Ų buried · 23 hydrogen bonds · protein-protein
  • A–C · 1273 Ų buried · 20 hydrogen bonds · protein-protein
  • A–F · 591 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7BYF · The crystal structure of mouse ORF10-Rae1-Nup98 complex · the same entry in another collection · chain E against E, TM-score 1.00
  • Q8C570 · AlphaFold monomer V2.0 prediction for mRNA export factor (Q8C570) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

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