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MolNFT v1 · #93788 · protein

Crystal structure of squalene synthase hpnc from alicyclobacillus acidocaldarius

4HD1: “Crystal structure of squalene synthase hpnc from alicyclobacillus acidocaldarius”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.74). MolNFT v1 #93788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4HD1
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Squalene synthase hpnc
EC
2.5.1.32
UniProt
C8WSG3
Ligands
SO4
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASqualene synthase hpnc (EC 2.5.1.32)protein26373% helix, 1% strandC8WSG3

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18650.740.7849empty

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 4HD1 · Crystal structure of squalene synthase HpnC from Alicyclobacillus acidocaldarius · the same entry in another collection · chain A against A, TM-score 1.00

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