MolNFT v1 · #36139 · protein
T. brucei farnesyl diphosphate synthase complexed with minodronate
2EWG · Farnesyl pyrophosphate synthase: “T. brucei farnesyl diphosphate synthase complexed with minodronate”. X-ray diffraction, 2 ligands (M0N, MG), 11 pockets (best druggability 0.79). MolNFT v1 #36139 on GenesisL1: 3D structure, binding…
- PDB
- 2EWG
- Type
- protein
- Length
- 734 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl pyrophosphate synthase
- EC
- 2.5.1.10
- UniProt
- Q86C09
- Ligands
- M0N, MG
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Farnesyl pyrophosphate synthase (EC 2.5.1.10) | protein | 367 | 72% helix, 2% strand | Q86C09 |
Ligands and binding sites
- M0N · (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 6 copies · chains A, B
- PGO · S-1,2-propanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 428 | 0.79 | 0.88 | 56 | MG, M0N |
| 2 | 372 | 0.79 | 0.89 | 54 | MG, M0N |
| 3 | 751 | 0.73 | 0.79 | 66 | empty |
| 4 | 51 | 0.62 | 0.94 | 13 | empty |
| 5 | 70 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 383 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2EWG · T. brucei Farnesyl Diphosphate Synthase Complexed with Minodronate · 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 Q86C09
- Elsewhere: RCSB PDB 2EWG · PDBe 2EWG · UniProt Q86C09
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