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Crystal structure of the TNPO3 - CPSF6 RSLD complex

Analyse Crystal structure of the TNPO3 - CPSF6 RSLD complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GX9
Type
protein
Length
1,841 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.7
Source
Homo sapiens
Molecule
Transportin-3; Cleavage and polyadenylation specificity factor subunit 6
UniProt
Q9Y5L0, Q16630
Ligands
BCN, BEN, MG
Pockets
20 · best druggability 0.57

Structure

x-ray diffraction · resolution 2.7 · 3 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransportin-3protein91275% helix, 0% strandQ9Y5L0
BTransportin-3protein91175% helix, 0% strandQ9Y5L0
C, DCleavage and polyadenylation specificity factor subunit 6protein90% helix, 0% strandQ16630

Ligands and binding sites

  • BCN · Bicine · ligand · 2 copies · chains A, B
  • BEN · Benzamidine · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 4 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12100.570.7928empty
2660.560.8816BCN
3660.560.8816BCN
41030.550.8518empty
5870.540.8620empty

Interfaces

3 interfaces between chains.

  • B–D · 709 Ų buried · 28 hydrogen bonds · protein-protein
  • A–C · 708 Ų buried · 22 hydrogen bonds · protein-protein
  • A–B · 331 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 2 modified (covalent ligand, phosphorylation).

Compared structures

  • 6GX9 · Crystal structure of the TNPO3 - CPSF6 rsld complex · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9Y5L0 · AlphaFold monomer V2.0 prediction for transportin-3 (Q9Y5L0) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q16630 · AlphaFold monomer V2.0 prediction for cleavage and polyadenylation specificity factor… · a predicted model of the same protein · chain D against A, TM-score 0.43

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