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Mvm nes mutant NM15 in complex with CRM1-ran-RANBP1

Analyse Mvm nes mutant NM15 in complex with CRM1-ran-RANBP1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6A3E
Type
protein
Length
1,353 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTP-binding nuclear protein ran; Ran-specific GTPase-activating protein 1; Exportin-1…
UniProt
P62826, P41920, P30822
Ligands
GTP, MG
Pockets
15 · best druggability 0.85

Structure

x-ray diffraction · 4 distinct chains · 64% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTP-binding nuclear protein ranprotein21029% helix, 22% strandP62826
BRan-specific GTPase-activating protein 1protein12813% helix, 48% strandP41920
CExportin-1protein99679% helix, 0% strandP30822
DMvm nes mutant NM15protein1958% helix, 0% strand—

Ligands and binding sites

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

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

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19030.850.87110empty
21120.650.8929GTP, MG
35060.640.7651empty
44520.610.7537empty
53500.570.7631empty

Interfaces

4 interfaces between chains.

  • A–B · 2096 Ų buried · 33 hydrogen bonds · protein-protein
  • A–C · 2057 Ų buried · 24 hydrogen bonds · protein-protein
  • C–D · 1043 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 179 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6A3E · MVM NES mutant Nm15 in complex with CRM1-Ran-RanBP1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P41920 · AlphaFold monomer V2.0 prediction for ran-specific GTPase-activating protein 1 (P41920) · a predicted model of the same protein · chain B against A, TM-score 0.95

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