MolNFT v1 · #49893 · protein
Crystal structure of N-terminal domain of zonular occludens toxin from neisseria meningitidis
2R2A · Uncharacterized protein: “Crystal structure of N-terminal domain of zonular occludens toxin from neisseria meningitidis”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.69). MolNFT v1 #49893 on GenesisL1: 3D…
- PDB
- 2R2A
- Type
- protein
- Length
- 382 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q9JRY6
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 191 | 25% helix, 25% strand | Q9JRY6 |
| B | Uncharacterized protein | protein | 191 | 28% helix, 24% strand | Q9JRY6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 696 | 0.69 | 0.77 | 67 | SO4 |
Interfaces
1 interface between chains.
- A–B · 461 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 2R2A · Crystal structure of N-terminal domain of zonular occludens toxin from Neisseria… · 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 Q9JRY6
- Elsewhere: RCSB PDB 2R2A · PDBe 2R2A · UniProt Q9JRY6
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