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MolNFT v1 · #11769 · protein

Vhs domain of human GGA1 complexed with cation-independent M6PR C-terminal peptide

1JWG · ADP-ribosylation factor binding protein GGA1: “Vhs domain of human GGA1 complexed with cation-independent M6PR C-terminal peptide”. X-ray diffraction, 1 ligand (IOD), 2 pockets (best druggability 0.58). MolNFT v1 #11769 on…

PDB
1JWG
Type
protein
Length
292 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP-ribosylation factor binding protein GGA1; Cation-independent mannose-6-phosphate…
UniProt
Q9UJY5, P11717
Ligands
IOD
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 64% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BADP-ribosylation factor binding protein GGA1protein14069% helix, 0% strandQ9UJY5
CCation-independent mannose-6-phosphate receptorprotein70% helix, 0% strandP11717
DCation-independent mannose-6-phosphate receptorprotein50% helix, 0% strandP11717

Ligands and binding sites

  • IOD · Iodide ion · ion · 6 copies · chains A, B

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
11180.580.8423IOD
21140.390.7523empty

Interfaces

3 interfaces between chains.

  • A–C · 564 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 464 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 438 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1JWG · VHS Domain of human GGA1 complexed with cation-independent M6PR C-terminal Peptide · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9UJY5 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor-binding protein GGA1… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P11717 · AlphaFold monomer V2.0 prediction for cation-independent mannose-6-phosphate receptor… · a predicted model of the same protein · chain D against A, TM-score 0.89

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