MolNFT v1 · #157719 · protein
Crystal structure of human fpps in complex with an allosteric inhibitor yf-02037
6N83 · Farnesyl pyrophosphate synthase: “Crystal structure of human fpps in complex with an allosteric inhibitor yf-02037”. X-ray diffraction, 3 ligands (YL6, CL, PO4), 1 pocket (best druggability 0.76). MolNFT v1 #157719 on GenesisL1: 3D…
- PDB
- 6N83
- 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
- YL6, CL, PO4
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Farnesyl pyrophosphate synthase (EC 2.5.1.10, 2.5.1.1) | protein | 341 | 74% helix, 1% strand | P14324 |
Ligands and binding sites
- YL6 · [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl) ethyl]phosphonic acid · ligand · chains F
- CL · Chloride ion · ion · 2 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 890 | 0.76 | 0.79 | 68 | YL6, PO4 |
Compared structures
- 6N83 · Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 · 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 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P14324
- Elsewhere: RCSB PDB 6N83 · PDBe 6N83 · UniProt P14324
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