MolNFT v1 · #61944 · protein
Crystal structure of cppa protein from streptococcus pneumoniae TIGR4
3E0R · C3-degrading proteinase (cppa protein): “Crystal structure of cppa protein from streptococcus pneumoniae TIGR4”. X-ray diffraction, 1 ligand (CL), 14 pockets (best druggability 0.72). MolNFT v1 #61944 on GenesisL1: 3D structure…
- PDB
- 3E0R
- Type
- protein
- Length
- 947 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C3-degrading proteinase (cppa protein)
- UniProt
- Q9X4I9
- Ligands
- CL
- Pockets
- 14 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 16% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | C3-degrading proteinase (cppa protein) | protein | 239 | 14% helix, 37% strand | Q9X4I9 |
| B | C3-degrading proteinase (cppa protein) | protein | 236 | 18% helix, 38% strand | Q9X4I9 |
| C | C3-degrading proteinase (cppa protein) | protein | 238 | 15% helix, 36% strand | Q9X4I9 |
| D | C3-degrading proteinase (cppa protein) | protein | 234 | 16% helix, 38% strand | Q9X4I9 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 916 | 0.72 | 0.76 | 67 | empty |
| 2 | 765 | 0.70 | 0.76 | 53 | empty |
| 3 | 516 | 0.62 | 0.75 | 50 | empty |
| 4 | 305 | 0.50 | 0.73 | 34 | empty |
| 5 | 147 | 0.41 | 0.74 | 24 | empty |
Interfaces
5 interfaces between chains.
- A–D · 564 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 503 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 240 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 69 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 21 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3E0R · Crystal structure of cppA protein from Streptococcus pneumoniae TIGR4 · 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 Q9X4I9
- Elsewhere: RCSB PDB 3E0R · PDBe 3E0R · UniProt Q9X4I9
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