Research workbench
Crystal structure of reduced DSBA3 from neisseria meningitidis
Analyse Crystal structure of reduced DSBA3 from neisseria meningitidis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DVX
- Type
- protein
- Length
- 377 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein dsba
- UniProt
- Q9K0Z4
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | THIOL:DISULFIDE interchange protein dsba | protein | 191 | 53% helix, 13% strand | Q9K0Z4 |
| B | THIOL:DISULFIDE interchange protein dsba | protein | 186 | 49% helix, 16% strand | Q9K0Z4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 118 | 0.79 | 0.98 | 28 | empty |
| 2 | 261 | 0.56 | 0.77 | 41 | empty |
| 3 | 156 | 0.51 | 0.78 | 27 | empty |
| 4 | 160 | 0.49 | 0.77 | 25 | empty |
| 5 | 104 | 0.36 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 919 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3DVX · Crystal structure of reduced DsbA3 from Neisseria meningitidis · 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 Q9K0Z4
- Elsewhere: RCSB PDB 3DVX · PDBe 3DVX · UniProt Q9K0Z4
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