Research workbench
Crystal structure of uncharacterized tim-barrel protein BB4693 from bordetella bronchiseptica
Analyse Crystal structure of uncharacterized tim-barrel protein BB4693 from bordetella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IRS
- Type
- protein
- Length
- 843 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein BB4693
- UniProt
- Q7WEE2
- Ligands
- NA, SO4
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Uncharacterized protein BB4693 | protein | 281 | 51% helix, 12% strand | Q7WEE2 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A, B, C
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.67 | 0.80 | 38 | SO4, GOL |
| 2 | 281 | 0.66 | 0.82 | 40 | SO4 |
| 3 | 283 | 0.65 | 0.81 | 30 | SO4, GOL |
| 4 | 162 | 0.45 | 0.76 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–C · 947 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 918 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 872 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3IRS · CRYSTAL STRUCTURE OF UNCHARACTERIZED TIM-BARREL PROTEIN BB4693 FROM Bordetella… · 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 Q7WEE2
- Elsewhere: RCSB PDB 3IRS · PDBe 3IRS · UniProt Q7WEE2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.