Research workbench
Crystal structure of the shigella flexneri farnesyl pyrophosphate synthase complex with an isopentenyl pyrophosphate
Analyse Crystal structure of the shigella flexneri farnesyl pyrophosphate synthase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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