Research workbench
The structure of the hexameric atrazine chlorohydrolase, atza
Analyse The structure of the hexameric atrazine chlorohydrolase, atza in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4V1X
- Type
- protein
- Length
- 2,837 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Atrazine chlorohydrolase
- EC
- 3.8.1.8
- UniProt
- P72156
- Ligands
- FE
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Atrazine chlorohydrolase (EC 3.8.1.8) | protein | 473 | 37% helix, 22% strand | P72156 |
| B, F | Atrazine chlorohydrolase (EC 3.8.1.8) | protein | 472 | 37% helix, 22% strand | P72156 |
| E | Atrazine chlorohydrolase (EC 3.8.1.8) | protein | 474 | 37% helix, 22% strand | P72156 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B, C, D, E, F
- PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, C, B, F, E, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.80 | 0.99 | 27 | empty |
| 2 | 105 | 0.79 | 0.99 | 28 | empty |
| 3 | 108 | 0.79 | 0.99 | 28 | empty |
| 4 | 290 | 0.78 | 0.89 | 38 | FE |
| 5 | 292 | 0.77 | 0.89 | 36 | empty |
Interfaces
12 interfaces between chains.
- C–D · 3490 Ų buried · 56 hydrogen bonds · protein-protein
- A–B · 3447 Ų buried · 57 hydrogen bonds · protein-protein
- E–F · 3442 Ų buried · 56 hydrogen bonds · protein-protein
- C–F · 695 Ų buried · 24 hydrogen bonds · protein-protein
- B–E · 686 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
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 P72156
- Elsewhere: RCSB PDB 4V1X · PDBe 4V1X · UniProt P72156
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