Research workbench
Reduced form of disulfide bond oxdioreductase (dsbg) from mycobacterium tuberculosis
Analyse Reduced form of disulfide bond oxdioreductase (dsbg) from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IHU
- Type
- protein
- Length
- 409 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isomerase dsbg
- UniProt
- I6YAR2
- Ligands
- CL
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isomerase dsbg | protein | 201 | 48% helix, 11% strand | I6YAR2 |
| B | Isomerase dsbg | protein | 208 | 46% helix, 11% strand | I6YAR2 |
Ligands and binding sites
- CL · Chloride ion · ion · 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 | 248 | 0.56 | 0.78 | 39 | empty |
| 2 | 55 | 0.46 | 0.84 | 15 | empty |
| 3 | 70 | 0.44 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 583 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified (disulfide, engineered).
Compared structures
- 4IHU · Reduced form of disulfide bond oxdioreductase (DsbG) from Mycobacterium tuberculosis · 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 I6YAR2
- Elsewhere: RCSB PDB 4IHU · PDBe 4IHU · UniProt I6YAR2
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