Research workbench
Crystal structure of metal-bound toxin from helicobacter pylori
Analyse Crystal structure of metal-bound toxin from helicobacter pylori in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NRN
- Type
- protein
- Length
- 180 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metal-bound toxin
- UniProt
- O25552
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.29
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Metal-bound toxin | protein | 90 | 31% helix, 33% strand | O25552 |
Ligands and binding sites
- ZN · Zinc 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 | 52 | 0.29 | 0.75 | 11 | empty |
| 2 | 51 | 0.26 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 703 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4NRN · Crystal structure of metal-bound toxin from Helicobacter pylori · 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 O25552
- Elsewhere: RCSB PDB 4NRN · PDBe 4NRN · UniProt O25552
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