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Crystal structure of KAP121P bound to rangtp

Analyse Crystal structure of KAP121P bound to rangtp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3W3Z
Type
protein
Length
1,184 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Importin subunit beta-3; GTP-binding nuclear protein ran
UniProt
P32337, P62825
Ligands
GTP, MG
Pockets
8 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AImportin subunit beta-3protein101376% helix, 1% strandP32337
BGTP-binding nuclear protein ranprotein17129% helix, 27% strandP62825

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · chains A, B
  • MG · Magnesium ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111920.780.8096empty
22900.650.8136MG, GTP
32460.510.7532empty
4690.420.8013empty
5640.410.8122empty

Interfaces

1 interface between chains.

  • A–B · 1668 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 modified (engineered).

Compared structures

  • 3W3Z · Crystal structure of Kap121p bound to RanGTP · the same entry in another collection · chain A against A, TM-score 1.00
  • P62825 · AlphaFold monomer V2.0 prediction for GTP-binding nuclear protein ran (P62825) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P32337 · AlphaFold monomer V2.0 prediction for importin subunit beta-3 (P32337) · a predicted model of the same protein · chain A against A, TM-score 0.63

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