Research workbench
Complete structure of streptococcus mutans antigen I/II carboxy- terminus
Analyse Complete structure of streptococcus mutans antigen I/II carboxy- terminus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QE5
- Type
- protein
- Length
- 974 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major cell-surface adhesin pac
- UniProt
- P11657
- Ligands
- GLC, CA, MG
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Major cell-surface adhesin pac | protein | 487 | 12% helix, 42% strand | P11657 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B
- CA · Calcium ion · metal · 6 copies · chains A, B
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 183 | 0.55 | 0.79 | 30 | empty |
| 2 | 84 | 0.38 | 0.77 | 17 | empty |
| 3 | 54 | 0.32 | 0.77 | 17 | empty |
| 4 | 60 | 0.30 | 0.75 | 18 | empty |
| 5 | 62 | 0.30 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 616 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 isopeptide (isopeptide).
Compared structures
- 3QE5 · Complete structure of Streptococcus mutans Antigen I/II carboxy-terminus · the same entry in another collection · chain A against A, TM-score 1.00
- P11657 · AlphaFold monomer V2.0 prediction for major cell-surface adhesin pac (P11657) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P11657
- Elsewhere: RCSB PDB 3QE5 · PDBe 3QE5 · UniProt P11657
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.