MolNFT v1 · #67175 · protein
Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate, MG2+ and 1-(2-hydroxy-2,2-bis- phosphono-ethyl)-3-phenyl-pyridinium
3ICM · Farnesyl pyrophosphate synthase: “Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate, MG2+ and…”. X-ray diffraction, 4 ligands (P2H, IPE, MG), 3 pockets (best druggability 0.81).…
- PDB
- 3ICM
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl pyrophosphate synthase
- EC
- 2.5.1.10
- UniProt
- Q95WL3
- Ligands
- P2H, IPE, MG, SO4
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl pyrophosphate synthase (EC 2.5.1.10) | protein | 362 | 75% helix, 1% strand | Q95WL3 |
Ligands and binding sites
- P2H · 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium · ligand · chains A
- IPE · 3-methylbut-3-enyl trihydrogen diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 346 | 0.81 | 0.91 | 54 | P2H, SO4, IPE, MG |
| 2 | 58 | 0.31 | 0.76 | 12 | empty |
| 3 | 57 | 0.29 | 0.74 | 14 | empty |
Compared structures
- 3ICM · Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q95WL3
- Elsewhere: RCSB PDB 3ICM · PDBe 3ICM · UniProt Q95WL3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.