MolNFT v1 · #75094 · protein
The crystal structure of the major pilin GBS80 of streptococcus agalactiae 35 kda C-terminal fragment
3PG2 · Cell wall surface anchor family protein: “The crystal structure of the major pilin GBS80 of streptococcus agalactiae 35 kda C-terminal fragment”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.48). MolNFT v1 #75094…
- PDB
- 3PG2
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell wall surface anchor family protein
- UniProt
- Q8E0S9
- Ligands
- CA
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell wall surface anchor family protein | protein | 315 | 10% helix, 37% strand | Q8E0S9 |
| B | Cell wall surface anchor family protein | protein | 313 | 11% helix, 37% strand | Q8E0S9 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.48 | 0.74 | 28 | empty |
| 2 | 55 | 0.25 | 0.73 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 204 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 isopeptide (isopeptide).
Compared structures
- 3PG2 · The Crystal structure of the major pilin GBS80 of Streptococcus agalactiae 35 kDa… · 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 Q8E0S9
- Elsewhere: RCSB PDB 3PG2 · PDBe 3PG2 · UniProt Q8E0S9
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