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The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1

Analyse The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PC9
Type
protein
Length
812 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Synaptojanin-2-binding PROTEIN,ANNEXIN A2; Protein tax-1
UniProt
P57105, P07355, P03409
Ligands
CA
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 60% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BSynaptojanin-2-binding PROTEIN,ANNEXIN A2protein39761% helix, 8% strandP57105, P07355
ASynaptojanin-2-binding PROTEIN,ANNEXIN A2protein40760% helix, 8% strandP57105, P07355
CProtein tax-1protein80% helix, 25% strandP03409

Ligands and binding sites

  • CA · Calcium ion · metal · 10 copies · chains B, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111350.740.7791empty
21340.530.8129empty
31300.520.8129empty
41510.480.7828empty
5650.480.8420empty

Interfaces

3 interfaces between chains.

  • B–A · 792 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 613 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 12 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7PC9 · The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 · the same entry in another collection · chain C against C, TM-score 1.00
  • P07355 · AlphaFold monomer V2.0 prediction for annexin A2 (P07355) · a predicted model of the same protein · chain B 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 0.24

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