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MolNFT v1 · #93539 · protein

Crystal structure of human fpps in ternary complex with YS0470 and isopentenyl pyrophosphate

4H5E · Farnesyl pyrophosphate synthase: “Crystal structure of human fpps in ternary complex with YS0470 and isopentenyl pyrophosphate”. X-ray diffraction, 3 ligands (YS4, IPR, MG), 1 pocket (best druggability 0.80). MolNFT v1 #93539 on…

PDB
4H5E
Type
protein
Length
346 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Farnesyl pyrophosphate synthase
EC
2.5.1.1, 2.5.1.10
UniProt
P14324
Ligands
YS4, IPR, MG
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
FFarnesyl pyrophosphate synthase (EC 2.5.1.1, 2.5.1.10)protein34676% helix, 1% strandP14324

Ligands and binding sites

  • YS4 · [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) · ligand · chains F
  • IPR · Isopentyl pyrophosphate · ligand · chains F
  • MG · Magnesium ion · metal · 3 copies · chains F

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
13330.800.9055YS4, IPR, MG

Compared structures

  • 4H5E · Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl… · the same entry in another collection · chain F against F, TM-score 1.00
  • P14324 · AlphaFold monomer V2.0 prediction for farnesyl pyrophosphate synthase (P14324) · a predicted model of the same protein · chain F against A, TM-score 0.99

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