Research workbench
Crystal structure of thiol peroxidase from burkholderia cenocepacia J2315
Analyse Crystal structure of thiol peroxidase from burkholderia cenocepacia J2315 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JE1
- Type
- protein
- Length
- 340 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable thiol peroxidase
- EC
- 1.11.1.-
- UniProt
- B4E5V4
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable thiol peroxidase (EC 1.11.1.-) | protein | 174 | 19% helix, 26% strand | B4E5V4 |
| B | Probable thiol peroxidase (EC 1.11.1.-) | protein | 166 | 18% helix, 27% strand | B4E5V4 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.58 | 0.90 | 22 | empty |
| 2 | 212 | 0.53 | 0.77 | 26 | empty |
| 3 | 178 | 0.47 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 761 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4JE1 · Crystal structure of thiol peroxidase from BURKHOLDERIA CENOCEPACIA J2315 · 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 B4E5V4
- Elsewhere: RCSB PDB 4JE1 · PDBe 4JE1 · UniProt B4E5V4
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