MolNFT v1 · #89795 · protein
Crystal structure of trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(CYCLOHEXYLAMINO)ETHANE-1,1-DIYL]BISPHOSPHONIC acid and MG2+
4DZW · Farnesyl pyrophosphate synthase: “Crystal structure of trypanosome cruzi farnesyl diphosphate synthase in complex with…”. X-ray diffraction, 4 ligands (0MQ, IPE, MG), 2 pockets (best druggability 0.77). MolNFT v1 #89795 on…
- PDB
- 4DZW
- Type
- protein
- Length
- 360 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
- 0MQ, IPE, MG, SO4
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl pyrophosphate synthase (EC 2.5.1.10) | protein | 360 | 73% helix, 1% strand | Q95WL3 |
Ligands and binding sites
- 0MQ · [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid · ligand · chains A
- IPE · 3-methylbut-3-enyl trihydrogen diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 577 | 0.77 | 0.84 | 57 | 0MQ, MG, IPE |
| 2 | 60 | 0.56 | 0.89 | 16 | SO4 |
Modifications
Observed in the structure: 1 modified (formylation).
Compared structures
- 4DZW · Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with… · 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 4DZW · PDBe 4DZW · UniProt Q95WL3
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