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Crystal structure of human scribble PDZ3:VANGL2 complex

Analyse Crystal structure of human scribble PDZ3:VANGL2 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XA6
Type
protein
Length
180 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein scribble homolog; Vang-like protein 2
UniProt
Q14160, Q9ULK5
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 4 distinct chains · 14% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BProtein scribble homologprotein8415% helix, 40% strandQ14160
CVang-like protein 2protein60% helix, 50% strandQ9ULK5
AProtein scribble homologprotein8316% helix, 41% strandQ14160
DVang-like protein 2protein70% helix, 43% strandQ9ULK5

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.350.7723empty

Interfaces

6 interfaces between chains.

  • B–C · 453 Ų buried · 14 hydrogen bonds · protein-protein
  • A–D · 440 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 217 Ų buried · 4 hydrogen bonds · protein-protein
  • B–A · 132 Ų buried · 0 hydrogen bonds · protein-protein
  • B–D · 127 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6XA6 · Crystal Structure of Human Scribble PDZ3:Vangl2 Complex · the same entry in another collection · chain D against D, TM-score 1.00
  • Q14160 · AlphaFold monomer V2.0 prediction for protein scribble homolog (Q14160) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • Q9ULK5 · AlphaFold monomer V2.0 prediction for vang-like protein 2 (Q9ULK5) · a predicted model of the same protein · chain C against A, TM-score 0.80

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