MolNFT v1 · #114419 · protein
Crystal structure of a putative epoxide hydrolase (KPN_01808) from klebsiella pneumoniae subsp. pneumoniae mgh 78578 at 1.60 a resolution
5BOV · Putative epoxide hydrolase protein: “Crystal structure of a putative epoxide hydrolase (KPN_01808) from klebsiella pneumoniae subsp. pneumoniae…”. X-ray diffraction, 11 pockets (best druggability 0.70). MolNFT v1 #114419 on…
- PDB
- 5BOV
- Type
- protein
- Length
- 1,199 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative epoxide hydrolase protein
- UniProt
- A6T9G8
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative epoxide hydrolase protein | protein | 301 | 46% helix, 18% strand | A6T9G8 |
| B | Putative epoxide hydrolase protein | protein | 302 | 45% helix, 17% strand | A6T9G8 |
| C, D | Putative epoxide hydrolase protein | protein | 298 | 45% helix, 17% strand | A6T9G8 |
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.70 | 0.82 | 49 | empty |
| 2 | 356 | 0.68 | 0.81 | 48 | empty |
| 3 | 324 | 0.66 | 0.81 | 46 | empty |
| 4 | 312 | 0.66 | 0.81 | 44 | empty |
| 5 | 529 | 0.62 | 0.75 | 56 | empty |
Interfaces
4 interfaces between chains.
- B–C · 519 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 423 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 165 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 131 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
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 A6T9G8
- Elsewhere: RCSB PDB 5BOV · PDBe 5BOV · UniProt A6T9G8
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