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MolNFT v1 · #36551 · protein

Crystal structure of human fpps in complex with ibandronate

2F94 · Farnesyl diphosphate synthase: “Crystal structure of human fpps in complex with ibandronate”. X-ray diffraction, 3 ligands (BFQ, ZN, PO4), 1 pocket (best druggability 0.78). MolNFT v1 #36551 on GenesisL1: 3D structure, binding sites…

PDB
2F94
Type
protein
Length
342 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Farnesyl diphosphate synthase
EC
2.5.1.1, 2.5.1.10
UniProt
P14324
Ligands
BFQ, ZN, PO4
Pockets
1 · best druggability 0.78

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
FFarnesyl diphosphate synthase (EC 2.5.1.1, 2.5.1.10)protein34276% helix, 1% strandP14324

Ligands and binding sites

  • BFQ · Ibandronate · ligand · chains F
  • ZN · Zinc ion · metal · 3 copies · chains F
  • PO4 · Phosphate ion · ion · 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
14150.780.8762ZN, PO4, BFQ

Compared structures

  • 2F94 · Crystal structure of human FPPS in complex with ibandronate · 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 1.00

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