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MolNFT v1 · #102929 · protein

Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione

4P0V · Farnesyl pyrophosphate synthase: “Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione”. X-ray diffraction, 3 ligands (ZOL, 1WO, MG), 1 pocket (best druggability 0.82). MolNFT v1…

PDB
4P0V
Type
protein
Length
346 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Farnesyl pyrophosphate synthase
EC
2.5.1.10, 2.5.1.1
UniProt
P14324
Ligands
ZOL, 1WO, MG
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFarnesyl pyrophosphate synthase (EC 2.5.1.10, 2.5.1.1)protein34674% helix, 1% strandP14324

Ligands and binding sites

  • ZOL · Zoledronic acid · ligand · chains A
  • 1WO · (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione · ligand · chains A
  • MG · Magnesium ion · metal · 3 copies · 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
13090.820.9349ZOL, 1WO, MG

Compared structures

  • 4P0V · Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and… · the same entry in another collection · chain A against A, TM-score 1.00
  • P14324 · AlphaFold monomer V2.0 prediction for farnesyl pyrophosphate synthase (P14324) · a predicted model of the same protein · chain A against A, TM-score 0.99

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