MolNFT v1 · #104969 · protein
Crystal structure of pneumolysin from streptococcus pneumoniae, in complex with mannose as a component of cell membrane
4QQQ: “Crystal structure of pneumolysin from streptococcus pneumoniae, in complex with mannose as a component of…”. X-ray diffraction, 1 ligand (MAN), 3 pockets (best druggability 0.63). MolNFT v1 #104969 on GenesisL1: 3D structure…
- PDB
- 4QQQ
- Type
- protein
- Length
- 483 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pneumolysin
- UniProt
- Q2XU26
- Ligands
- MAN
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pneumolysin | protein | 483 | 19% helix, 42% strand | Q2XU26 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A
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 | 217 | 0.63 | 0.83 | 33 | empty |
| 2 | 126 | 0.47 | 0.78 | 23 | empty |
| 3 | 89 | 0.44 | 0.80 | 19 | empty |
Compared structures
- 4QQQ · Crystal structure of pneumolysin from Streptococcus pneumoniae, in complex with mannose… · 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 Q2XU26
- Elsewhere: RCSB PDB 4QQQ · PDBe 4QQQ · UniProt Q2XU26
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