MolNFT v1 · #91837 · protein
Crystal structure of isoprenoid synthase A3MX09 (target efi-501993) from pyrobaculum calidifontis
4FP4 · Polyprenyl synthetase: “Crystal structure of isoprenoid synthase A3MX09 (target efi-501993) from pyrobaculum calidifontis”. X-ray diffraction, 3 ligands (GER, UNL, UNX), 2 pockets (best druggability 0.78). MolNFT v1 #91837 on…
- PDB
- 4FP4
- Type
- protein
- Length
- 477 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyprenyl synthetase
- UniProt
- A3MX09
- Ligands
- GER, UNL, UNX
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyprenyl synthetase | protein | 243 | 81% helix, 1% strand | A3MX09 |
| B | Polyprenyl synthetase | protein | 234 | 81% helix, 2% strand | A3MX09 |
Ligands and binding sites
- GER · Geran-8-yl geran · ligand · chains A, B
- UNL · Unknown ligand · ligand · chains A
- UNX · Unknown atom or ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.78 | 0.85 | 49 | GER, UNL |
| 2 | 446 | 0.75 | 0.84 | 59 | empty |
Interfaces
1 interface between chains.
- A–B · 1567 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4FP4 · Crystal structure of isoprenoid synthase a3mx09 (target efi-501993) from pyrobaculum… · 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 A3MX09
- Elsewhere: RCSB PDB 4FP4 · PDBe 4FP4 · UniProt A3MX09
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