Research workbench
Crystal structure of the sensor domain of BLAR1 from staphylococcus aureus in its apo form
Analyse Crystal structure of the sensor domain of BLAR1 from staphylococcus aureus in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XA1
- Type
- protein
- Length
- 973 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regulatory protein BLAR1
- UniProt
- P18357
- Ligands
- POP, PO4
- Pockets
- 8 · best druggability 0.55
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Regulatory protein BLAR1 | protein | 244 | 36% helix, 25% strand | P18357 |
| B | Regulatory protein BLAR1 | protein | 246 | 36% helix, 25% strand | P18357 |
| C | Regulatory protein BLAR1 | protein | 243 | 37% helix, 24% strand | P18357 |
| D | Regulatory protein BLAR1 | protein | 240 | 36% helix, 25% strand | P18357 |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · 4 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 270 | 0.55 | 0.76 | 32 | empty |
| 2 | 151 | 0.40 | 0.73 | 29 | POP |
| 3 | 95 | 0.35 | 0.74 | 25 | empty |
| 4 | 98 | 0.32 | 0.72 | 19 | POP |
| 5 | 71 | 0.30 | 0.73 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–C · 426 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 221 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1XA1 · Crystal structure of the sensor domain of BlaR1 from Staphylococcus aureus in its apo form · the same entry in another collection · chain D against D, TM-score 1.00
- P18357 · AlphaFold monomer V2.0 prediction for regulatory protein BLAR1 (P18357) · a predicted model of the same protein · chain B 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 P18357
- Elsewhere: RCSB PDB 1XA1 · PDBe 1XA1 · UniProt P18357
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