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MolNFT v1 · #120781 · protein

Crystal structure of chaetomium thermophilum NUP53 rrm (space group P3121)

5HB8 · Nucleoporin NUP53: “Crystal structure of chaetomium thermophilum NUP53 rrm (space group P3121)”. X-ray diffraction, 1 pocket (best druggability 0.74). MolNFT v1 #120781 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5HB8
Type
protein
Length
437 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleoporin NUP53
UniProt
G0S156
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNucleoporin NUP53protein10929% helix, 23% strandG0S156
CNucleoporin NUP53protein11029% helix, 23% strandG0S156
DNucleoporin NUP53protein10928% helix, 23% strandG0S156

Ligands and binding sites

  • SIN · Succinic acid · additive · 6 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 5 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111150.740.77123SIN, GOL

Interfaces

6 interfaces between chains.

  • A–C · 658 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 637 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 499 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 273 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 246 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5HB8 · Crystal structure of Chaetomium thermophilum Nup53 RRM (space group P3121) · the same entry in another collection · chain B against B, TM-score 1.00
  • G0S156 · AlphaFold monomer V2.0 prediction for nucleoporin NUP53 (G0S156) · a predicted model of the same protein · chain A against A, TM-score 0.96

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