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MolNFT v1 · #138067 · protein

X-ray structure of ankyrin repeat domain of DHHC17 in complex with SNAP25B peptide

5W7I · Palmitoyltransferase ZDHHC17: “X-ray structure of ankyrin repeat domain of DHHC17 in complex with SNAP25B peptide”. X-ray diffraction, 6 pockets (best druggability 0.70). MolNFT v1 #138067 on GenesisL1: 3D structure, binding sites…

PDB
5W7I
Type
protein
Length
480 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Palmitoyltransferase ZDHHC17; SNAP25B-111-120
EC
2.3.1.225
UniProt
Q8IUH5
Pockets
6 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APalmitoyltransferase ZDHHC17 (EC 2.3.1.225)protein22947% helix, 3% strandQ8IUH5
B, DSNAP25B-111-120protein100% helix, 0% strand—
CPalmitoyltransferase ZDHHC17 (EC 2.3.1.225)protein23148% helix, 2% strandQ8IUH5

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15800.700.7966empty
22710.610.7936empty
31210.450.7819empty
41100.390.7516empty
5750.390.7814empty

Interfaces

6 interfaces between chains.

  • A–C · 975 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 536 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 532 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 193 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 193 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 5W7I · X-ray structure of ankyrin repeat domain of DHHC17 in complex with Snap25b peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IUH5 · AlphaFold monomer V2.0 prediction for palmitoyltransferase ZDHHC17 (Q8IUH5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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