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Structure of the complex of trypanosoma cruzi farnesyl diphosphate synthase with risedronate, dmapp and MG+2
Analyse Structure of the complex of trypanosoma cruzi farnesyl diphosphate synthase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1YHL
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl pyrophosphate synthase
- UniProt
- Q8WS26
- Ligands
- DMA, RIS, MG, SO4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl pyrophosphate synthase | protein | 362 | 73% helix, 2% strand | Q8WS26 |
Ligands and binding sites
- DMA · Dimethylallyl diphosphate · ligand · chains A
- RIS · 1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid · 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
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 285 | 0.79 | 0.91 | 46 | MG, DMA, RIS |
| 2 | 67 | 0.46 | 0.83 | 19 | empty |
| 3 | 58 | 0.31 | 0.76 | 16 | empty |
| 4 | 57 | 0.28 | 0.74 | 12 | empty |
Compared structures
- 1YHL · Structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase 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 Q8WS26
- Elsewhere: RCSB PDB 1YHL · PDBe 1YHL · UniProt Q8WS26
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