Research workbench
Crystal structure of non-heme chloroperoxidase from burkholderia cenocepacia
Analyse Crystal structure of non-heme chloroperoxidase from burkholderia cenocepacia in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4DGQ
- Type
- protein
- Length
- 831 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-heme chloroperoxidase
- EC
- 1.11.1.10
- UniProt
- B4EA96
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Non-heme chloroperoxidase (EC 1.11.1.10) | protein | 277 | 45% helix, 17% strand | B4EA96 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.81 | 0.83 | 82 | empty |
| 2 | 88 | 0.70 | 0.94 | 22 | empty |
| 3 | 97 | 0.69 | 0.92 | 27 | empty |
| 4 | 97 | 0.66 | 0.91 | 27 | empty |
| 5 | 72 | 0.58 | 0.88 | 21 | EDO |
Interfaces
3 interfaces between chains.
- A–C · 930 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 927 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 914 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4DGQ · Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia · 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 B4EA96
- Elsewhere: RCSB PDB 4DGQ · PDBe 4DGQ · UniProt B4EA96
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