Research workbench
Crystal structure of pcrb complexed with SO4 from staphylococcus aureus subsp. aureus MU3
Analyse Crystal structure of pcrb complexed with SO4 from staphylococcus aureus subsp.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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