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Magi-1 complexed with a RSK1 peptide

Analyse Magi-1 complexed with a RSK1 peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5N7D
Type
protein
Length
847 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Membrane-associated guanylate kinase, ww and PDZ domain- containing protein 1,ANNEXIN A2…
EC
2.7.11.1
UniProt
Q96QZ7, P07355, Q15418
Ligands
CA
Pockets
8 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 57% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMembrane-associated guanylate kinase, ww and PDZ domain- containing protein 1,ANNEXIN A2protein42358% helix, 8% strandQ96QZ7, P07355
BMembrane-associated guanylate kinase, ww and PDZ domain- containing protein 1,ANNEXIN A2protein42056% helix, 5% strandQ96QZ7, P07355
CRibosomal protein S6 kinase alpha-1 (EC 2.7.11.1)protein40% helix, 50% strandQ15418

Ligands and binding sites

  • CA · Calcium ion · metal · 7 copies · chains A, B
  • GOL · Glycerol · additive · 5 copies · chains A, 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, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
112000.740.7797GOL
2630.690.9522empty
35430.650.7773GOL
43690.620.7851GOL
51480.600.8426empty

Interfaces

2 interfaces between chains.

  • A–B · 385 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 344 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 5N7D · MAGI-1 complexed with a RSK1 peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15418 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-1 (Q15418) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P07355 · AlphaFold monomer V2.0 prediction for annexin A2 (P07355) · a predicted model of the same protein · chain B against A, TM-score 0.76
  • Q96QZ7 · AlphaFold monomer V2.0 prediction for membrane-associated guanylate kinase, ww and PDZ… · a predicted model of the same protein · chain A against A, TM-score 0.33

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