Research workbench
Crystal structure of disulfide oxidoreductase from klebsiella pneumoniae in reduced state
Analyse Crystal structure of disulfide oxidoreductase from klebsiella pneumoniae in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MCU
- Type
- protein
- Length
- 1,124 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein
- UniProt
- B5XZJ6
- Pockets
- 17 · best druggability 0.78
Structure
x-ray diffraction · 6 distinct chains · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | THIOL:DISULFIDE interchange protein | protein | 188 | 53% helix, 12% strand | B5XZJ6 |
| B | THIOL:DISULFIDE interchange protein | protein | 189 | 51% helix, 11% strand | B5XZJ6 |
| C | THIOL:DISULFIDE interchange protein | protein | 186 | 52% helix, 12% strand | B5XZJ6 |
| D | THIOL:DISULFIDE interchange protein | protein | 185 | 52% helix, 11% strand | B5XZJ6 |
| E | THIOL:DISULFIDE interchange protein | protein | 190 | 52% helix, 11% strand | B5XZJ6 |
| F | THIOL:DISULFIDE interchange protein | protein | 186 | 52% helix, 11% strand | B5XZJ6 |
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 774 | 0.78 | 0.82 | 61 | empty |
| 2 | 733 | 0.76 | 0.81 | 60 | empty |
| 3 | 852 | 0.72 | 0.77 | 78 | empty |
| 4 | 598 | 0.64 | 0.75 | 48 | empty |
| 5 | 474 | 0.60 | 0.75 | 55 | empty |
Interfaces
10 interfaces between chains.
- B–D · 1112 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 1107 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 332 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 224 Ų buried · 4 hydrogen bonds · protein-protein
- C–E · 162 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4MCU · Crystal structure of disulfide oxidoreductase from Klebsiella pneumoniae in reduced state · 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 B5XZJ6
- Elsewhere: RCSB PDB 4MCU · PDBe 4MCU · UniProt B5XZJ6
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