MolNFT v1 · #82862 · protein
Crystal structure of pcrb complexed with SO4 from staphylococcus aureus subsp. aureus MU3
3W02 · Heptaprenylglyceryl phosphate synthase: “Crystal structure of pcrb complexed with SO4 from staphylococcus aureus subsp. aureus MU3”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.73). MolNFT v1 #82862 on…
- PDB
- 3W02
- Type
- protein
- Length
- 454 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heptaprenylglyceryl phosphate synthase
- EC
- 2.5.1.-
- UniProt
- A7X435
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heptaprenylglyceryl phosphate synthase (EC 2.5.1.-) | protein | 227 | 43% helix, 19% strand | A7X435 |
| B | Heptaprenylglyceryl phosphate synthase (EC 2.5.1.-) | protein | 227 | 40% helix, 19% strand | A7X435 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.73 | 0.87 | 40 | empty |
| 2 | 200 | 0.71 | 0.87 | 37 | empty |
| 3 | 247 | 0.63 | 0.82 | 32 | SO4 |
| 4 | 201 | 0.59 | 0.81 | 33 | SO4 |
| 5 | 113 | 0.38 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1305 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3W02 · Crystal structure of PcrB complexed with SO4 from Staphylococcus aureus subsp. aureus Mu3 · the same entry in another collection · chain A against A, TM-score 1.00
- A7X435 · AlphaFold monomer V2.0 prediction for heptaprenylglyceryl phosphate synthase (A7X435) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 A7X435
- Elsewhere: RCSB PDB 3W02 · PDBe 3W02 · UniProt A7X435
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