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GGA3 vhs domain complexed with C-terminal peptide from cation-independent mannose 6-phosphate receptor

Analyse GGA3 vhs domain complexed with C-terminal peptide from cation-independent… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JPL
Type
protein
Length
673 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP-ribosylation factor binding protein GGA3; Cation-independent mannose 6-phosphate…
UniProt
Q9NZ52, P11717
Pockets
7 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 66% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DADP-ribosylation factor binding protein GGA3protein16170% helix, 0% strandQ9NZ52
E, F, GCation-independent mannose 6-phosphate receptorprotein80% helix, 0% strandP11717
B, CADP-ribosylation factor binding protein GGA3protein15969% helix, 0% strandQ9NZ52
HCation-independent mannose 6-phosphate receptorprotein90% helix, 0% strandP11717

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15760.720.8063empty
24640.680.7959empty
32130.530.7731empty
41200.510.8117empty
51610.470.7619empty

Interfaces

8 interfaces between chains.

  • C–D · 1194 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1183 Ų buried · 15 hydrogen bonds · protein-protein
  • B–F · 588 Ų buried · 10 hydrogen bonds · protein-protein
  • A–E · 566 Ų buried · 7 hydrogen bonds · protein-protein
  • D–H · 562 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 modified (engineered).

Compared structures

  • 1JPL · GGA3 VHS domain complexed with C-terminal peptide from cation-independent mannose… · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9NZ52 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor-binding protein GGA3… · a predicted model of the same protein · chain C against A, TM-score 0.92

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