MolNFT v1 · #93626 · protein
Structure of S. aureus undecaprenyl diphosphate synthase in complex with fpp and sulfate
4H8E · Undecaprenyl pyrophosphate synthase: “Structure of S. aureus undecaprenyl diphosphate synthase in complex with fpp and sulfate”. X-ray diffraction, 3 ligands (FPP, MG, SO4), 1 pocket (best druggability 0.76). MolNFT v1 #93626 on…
- PDB
- 4H8E
- Type
- protein
- Length
- 235 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Undecaprenyl pyrophosphate synthase
- EC
- 2.5.1.31
- UniProt
- P60477
- Ligands
- FPP, MG, SO4
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Undecaprenyl pyrophosphate synthase (EC 2.5.1.31) | protein | 235 | 49% helix, 14% strand | P60477 |
Ligands and binding sites
- FPP · Farnesyl diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.76 | 0.89 | 39 | MG, FPP, SO4 |
Compared structures
- 4H8E · Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate · the same entry in another collection · chain A against A, TM-score 1.00
- P60477 · AlphaFold monomer V2.0 prediction for isoprenyl transferase (P60477) · a predicted model of the same protein · chain A 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 P60477
- Elsewhere: RCSB PDB 4H8E · PDBe 4H8E · UniProt P60477
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