GL1X · GenesisL1 explorer

MolNFT v1 · #105207 · protein

Crystal structure of human fpps in complex with WC01088

4QXS · Farnesyl pyrophosphate synthase: “Crystal structure of human fpps in complex with WC01088”. X-ray diffraction, 2 ligands (WC1, PO4), 2 pockets (best druggability 0.75). MolNFT v1 #105207 on GenesisL1: 3D structure, binding sites and…

PDB
4QXS
Type
protein
Length
341 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
WC1, PO4
Pockets
2 · best druggability 0.75

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
FFarnesyl pyrophosphate synthase (EC 2.5.1.10, 2.5.1.1)protein34176% helix, 1% strandP14324

Ligands and binding sites

  • WC1 · (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid) · ligand · chains F
  • PO4 · Phosphate ion · ion · 2 copies · chains F
  • GOL · Glycerol · additive · chains F

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
18210.750.7958PO4, WC1
21080.450.7919empty

Compared structures

  • 4QXS · Crystal structure of human FPPS in complex with WC01088 · 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 0.96

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.