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MolNFT v1 · #122916 · protein

Crystal structure of human karyopherin-BETA2 bound to the histone H3 tail

5J3V · Transportin-1,TRANSPORTIN-1: “Crystal structure of human karyopherin-BETA2 bound to the histone H3 tail”. X-ray diffraction, 15 pockets (best druggability 0.66). MolNFT v1 #122916 on GenesisL1: 3D structure, binding sites and…

PDB
5J3V
Type
protein
Length
1,682 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transportin-1,TRANSPORTIN-1; Histone H3
UniProt
Q92973
Pockets
15 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransportin-1,TRANSPORTIN-1protein83573% helix, 0% strandQ92973
C, DHistone H3protein1735% helix, 0% strand—
BTransportin-1,TRANSPORTIN-1protein81367% helix, 0% strandQ92973

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.660.9416empty
25770.660.7745empty
32620.640.8228empty
44890.630.7640empty
52640.630.8139empty

Interfaces

3 interfaces between chains.

  • B–D · 977 Ų buried · 22 hydrogen bonds · protein-protein
  • A–C · 939 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 634 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5J3V · Crystal structure of human Karyopherin-beta2 bound to the histone H3 tail · the same entry in another collection · chain A against A, TM-score 1.00
  • Q92973 · AlphaFold monomer V2.0 prediction for transportin-1 (Q92973) · a predicted model of the same protein · chain A against A, TM-score 0.97

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