MolNFT v1 · #121509 · protein
Crystal structure of Z,Z-farnesyl diphosphate synthase (D71M, E75A and H103Y mutants) complexed with dmspp
5HXQ · (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic: “Crystal structure of Z,Z-farnesyl diphosphate synthase (D71M, E75A and H103Y mutants) complexed with dmspp”. X-ray diffraction, 2 ligands (O4B, DST), 3 pockets (best…
- PDB
- 5HXQ
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic
- EC
- 2.5.1.92
- UniProt
- B8XA40
- Ligands
- O4B, DST
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic (EC 2.5.1.92) | protein | 223 | 49% helix, 15% strand | B8XA40 |
| C | (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic (EC 2.5.1.92) | protein | 227 | 50% helix, 15% strand | B8XA40 |
Ligands and binding sites
- O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane · ligand · 2 copies · chains A, C
- DST · Dimethylallyl S-thiolodiphosphate · ligand · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.68 | 0.84 | 29 | DST |
| 2 | 290 | 0.64 | 0.81 | 34 | empty |
| 3 | 109 | 0.38 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–C · 2008 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 5HXQ · Crystal Structure of Z,Z-Farnesyl Diphosphate Synthase (D71M, E75A and H103Y Mutants)… · the same entry in another collection · chain A against A, TM-score 1.00
- B8XA40 · AlphaFold monomer V2.0 prediction for (2Z,6Z)-farnesyl diphosphate synthase… · a predicted model of the same protein · chain C against A, TM-score 0.99
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 B8XA40
- Elsewhere: RCSB PDB 5HXQ · PDBe 5HXQ · UniProt B8XA40
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