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MolNFT v1 · #89168 · protein

Crystal structure of isoprenoid synthase A3MSH1 (target efi-501992) from pyrobaculum calidifontis

4DHD · Polyprenyl synthetase: “Crystal structure of isoprenoid synthase A3MSH1 (target efi-501992) from pyrobaculum calidifontis”. X-ray diffraction, 2 ligands (PO4, CL), 2 pockets (best druggability 0.67). MolNFT v1 #89168 on GenesisL1…

PDB
4DHD
Type
protein
Length
328 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyprenyl synthetase
UniProt
A3MSH1
Ligands
PO4, CL
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyprenyl synthetaseprotein32875% helix, 2% strandA3MSH1

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • CL · Chloride ion · ion · chains A
  • ACT · Acetate ion · additive · chains A

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
14890.670.7949PO4
2790.420.7914ACT

Compared structures

  • 4DHD · Crystal structure of isoprenoid synthase A3MSH1 (TARGET EFI-501992) from Pyrobaculum… · the same entry in another collection · chain A against A, TM-score 1.00

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