Research workbench
Crystal structure of the disulfide oxidoreductase dsba (S30XXC33) active site mutant from proteus mirabilis
Analyse Crystal structure of the disulfide oxidoreductase dsba (S30XXC33) active site… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OCF
- Type
- protein
- Length
- 749 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein
- UniProt
- B4EZ68
- Ligands
- SCN
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | THIOL:DISULFIDE interchange protein | protein | 187 | 51% helix, 12% strand | B4EZ68 |
| B | THIOL:DISULFIDE interchange protein | protein | 188 | 52% helix, 11% strand | B4EZ68 |
| C, D | THIOL:DISULFIDE interchange protein | protein | 187 | 50% helix, 12% strand | B4EZ68 |
Ligands and binding sites
- SCN · Thiocyanate ion · ion · 9 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 851 | 0.73 | 0.78 | 82 | empty |
| 2 | 420 | 0.66 | 0.79 | 35 | empty |
| 3 | 360 | 0.63 | 0.78 | 37 | empty |
| 4 | 407 | 0.62 | 0.77 | 49 | empty |
| 5 | 385 | 0.57 | 0.75 | 39 | empty |
Interfaces
5 interfaces between chains.
- A–C · 470 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 364 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 340 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 232 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 72 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4OCF · Crystal structure of the disulfide oxidoreductase DsbA (S30XXC33) active site mutant from… · 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 B4EZ68
- Elsewhere: RCSB PDB 4OCF · PDBe 4OCF · UniProt B4EZ68
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