Research workbench
Crystal structure of SMU.848 from streptococcus mutans
Analyse Crystal structure of SMU.848 from streptococcus mutans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2G0I
- Type
- protein
- Length
- 223 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein SMU.848
- UniProt
- Q8DUQ5
- Ligands
- CA
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein SMU.848 | protein | 111 | 40% helix, 30% strand | Q8DUQ5 |
| B | Hypothetical protein SMU.848 | protein | 112 | 42% helix, 29% strand | Q8DUQ5 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.73 | 0.99 | 14 | empty |
| 2 | 139 | 0.41 | 0.75 | 22 | PEG |
| 3 | 95 | 0.38 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1027 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2G0I · Crystal structure of SMU.848 from Streptococcus mutans · 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 Q8DUQ5
- Elsewhere: RCSB PDB 2G0I · PDBe 2G0I · UniProt Q8DUQ5
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