Research workbench
Crystal structure of a putative oxidoreductase from klebsiella pneumoniae
Analyse Crystal structure of a putative oxidoreductase from klebsiella pneumoniae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3E82
- Type
- protein
- Length
- 1,384 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxidoreductase
- UniProt
- A6T882
- Ligands
- CL
- Pockets
- 13 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative oxidoreductase | protein | 343 | 37% helix, 23% strand | A6T882 |
| B | Putative oxidoreductase | protein | 347 | 36% helix, 23% strand | A6T882 |
| D | Putative oxidoreductase | protein | 350 | 35% helix, 22% strand | A6T882 |
| E | Putative oxidoreductase | protein | 344 | 38% helix, 23% strand | A6T882 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 745 | 0.73 | 0.79 | 100 | empty |
| 2 | 1189 | 0.71 | 0.75 | 79 | empty |
| 3 | 484 | 0.68 | 0.79 | 67 | empty |
| 4 | 500 | 0.68 | 0.79 | 69 | empty |
| 5 | 449 | 0.66 | 0.78 | 59 | empty |
Interfaces
3 interfaces between chains.
- D–E · 1535 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1535 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 298 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 3E82 · Crystal structure of a putative oxidoreductase from Klebsiella pneumoniae · 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 A6T882
- Elsewhere: RCSB PDB 3E82 · PDBe 3E82 · UniProt A6T882
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