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The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ- binding motif of RSK1

Analyse The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ- binding motif… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7P74
Type
protein
Length
422 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Synaptojanin-2-binding PROTEIN,ANNEXIN A2; Ribosomal protein S6 kinase alpha-1
EC
2.7.11.1
UniProt
P57105, P07355, Q15418
Ligands
CA
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASynaptojanin-2-binding PROTEIN,ANNEXIN A2protein41758% helix, 10% strandP57105, P07355
BRibosomal protein S6 kinase alpha-1 (EC 2.7.11.1)protein50% helix, 40% strandQ15418

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110730.740.7796GOL
2620.300.7514empty

Interfaces

1 interface between chains.

  • A–B · 421 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 7P74 · The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1 · 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 B against A, TM-score 0.92
  • P07355 · AlphaFold monomer V2.0 prediction for annexin A2 (P07355) · a predicted model of the same protein · chain A against A, TM-score 0.77
  • P57105 · AlphaFold monomer V2.0 prediction for synaptojanin-2-binding protein (P57105) · a predicted model of the same protein · chain A against A, TM-score 0.25

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