MolNFT v1 · #37051 · protein
Crystal structure of the shigella flexneri farnesyl pyrophosphate synthase complex with an isopentenyl pyrophosphate
2FOR · Geranyltranstransferase: “Crystal structure of the shigella flexneri farnesyl pyrophosphate synthase complex with an isopentenyl…”. X-ray diffraction, 2 ligands (IPR, PO4), 6 pockets (best druggability 0.68). MolNFT v1 #37051 on…
- PDB
- 2FOR
- Type
- protein
- Length
- 564 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Geranyltranstransferase
- EC
- 2.5.1.10
- Ligands
- IPR, PO4
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Geranyltranstransferase (EC 2.5.1.10) | protein | 283 | 75% helix, 1% strand | — |
| B | Geranyltranstransferase (EC 2.5.1.10) | protein | 281 | 76% helix, 1% strand | — |
Ligands and binding sites
- IPR · Isopentyl pyrophosphate · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 400 | 0.68 | 0.80 | 46 | PO4, IPR |
| 2 | 375 | 0.64 | 0.79 | 40 | PO4, IPR |
| 3 | 96 | 0.36 | 0.75 | 17 | empty |
| 4 | 70 | 0.36 | 0.77 | 18 | empty |
| 5 | 66 | 0.36 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1871 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2FOR · Crystal Structure of the Shigella flexneri Farnesyl Pyrophosphate Synthase Complex with… · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 2FOR · PDBe 2FOR
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