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MolNFT v1 · #18828 · protein

Structure and autoregulation of the yeast HST2 homolog of SIR2

1Q14 · HST2 protein: “Structure and autoregulation of the yeast HST2 homolog of SIR2”. X-ray diffraction, 2 ligands (ZN, CL), 3 pockets (best druggability 0.57). MolNFT v1 #18828 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1Q14
Type
protein
Length
289 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HST2 protein
UniProt
P53686
Ligands
ZN, CL
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHST2 proteinprotein28942% helix, 16% strandP53686

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12920.570.7740empty
2770.330.7518empty
3710.310.7519empty

Compared structures

  • 1Q14 · Structure and autoregulation of the yeast Hst2 homolog of Sir2 · the same entry in another collection · chain A against A, TM-score 1.00
  • P53686 · AlphaFold monomer V2.0 prediction for NAD-dependent protein deacetylase HST2 (P53686) · a predicted model of the same protein · chain A against A, TM-score 0.89

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