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Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of VPS29 with varp 687-747

Analyse Solution structure and 1H, 13C and 15N chemical shift assignments for the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TL0
Type
protein
Length
253 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vacuolar protein sorting-associated protein 29; Ankyrin repeat domain-containing protein…
UniProt
Q9QZ88, Q96NW4
Ligands
ZN
Pockets
2 · best druggability 0.35

Structure

solution nmr · 2 distinct chains · 11% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVacuolar protein sorting-associated protein 29protein19214% helix, 35% strandQ9QZ88
BAnkyrin repeat domain-containing protein 27protein610% helix, 0% strandQ96NW4

Ligands and binding sites

  • ZN · Zinc ion · metal · chains 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1910.350.7415empty
2600.310.7618empty

Interfaces

1 interface between chains.

  • A–B · 344 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6TL0 · Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9QZ88 · AlphaFold monomer V2.0 prediction for vacuolar protein sorting- associated protein 29… · a predicted model of the same protein · chain A against A, TM-score 0.93
  • Q96NW4 · AlphaFold monomer V2.0 prediction for ankyrin repeat domain- containing protein 27… · a predicted model of the same protein · chain B against A, TM-score 0.34

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