MolNFT v1 · #27117 · protein
Crystal structure of the sensor domain of BLAR1 from staphylococcus aureus in its apo form
1XA1 · Regulatory protein BLAR1: “Crystal structure of the sensor domain of BLAR1 from staphylococcus aureus in its apo form”. X-ray diffraction, 2 ligands (POP, PO4), 8 pockets (best druggability 0.55). MolNFT v1 #27117 on GenesisL1: 3D…
- 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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