Research workbench
2.6 ångström structure of the extracellular solute-binding protein from staphylococcus aureus in complex with peg.
Analyse 2.6 ångström structure of the extracellular solute-binding protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HS7
- Type
- protein
- Length
- 752 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial extracellular solute-binding protein, putative
- UniProt
- Q2G1E9
- Ligands
- K
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bacterial extracellular solute-binding protein, putative | protein | 376 | 44% helix, 21% strand | Q2G1E9 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 608 | 0.64 | 0.75 | 80 | empty |
| 2 | 106 | 0.54 | 0.83 | 27 | empty |
| 3 | 63 | 0.52 | 0.87 | 18 | empty |
| 4 | 108 | 0.52 | 0.82 | 27 | empty |
| 5 | 293 | 0.50 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1389 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4HS7 · 2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus… · 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 Q2G1E9
- Elsewhere: RCSB PDB 4HS7 · PDBe 4HS7 · UniProt Q2G1E9
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