MolNFT v1 · #65042 · protein
Crystal structure of the major pilin from streptococcus pyogenes N168A mutant
3GLE: “Crystal structure of the major pilin from streptococcus pyogenes N168A mutant”. X-ray diffraction, 4 pockets (best druggability 0.63). MolNFT v1 #65042 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3GLE
- Type
- protein
- Length
- 844 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pilin
- UniProt
- Q9A1S2
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 2% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pilin | protein | 283 | 2% helix, 53% strand | Q9A1S2 |
| B | Pilin | protein | 281 | 2% helix, 53% strand | Q9A1S2 |
| C | Pilin | protein | 280 | 2% helix, 54% strand | Q9A1S2 |
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 | 390 | 0.63 | 0.78 | 54 | empty |
| 2 | 154 | 0.53 | 0.80 | 30 | empty |
| 3 | 292 | 0.53 | 0.75 | 30 | empty |
| 4 | 149 | 0.46 | 0.77 | 22 | empty |
Interfaces
2 interfaces between chains.
- A–B · 460 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 406 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 isopeptide (isopeptide).
Compared structures
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 Q9A1S2
- Elsewhere: RCSB PDB 3GLE · PDBe 3GLE · UniProt Q9A1S2
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