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Crystal structure of the mutant E241Q of atrazine chlorohydrolase trzn from arthrobacter aurescens TC1 complexed with zinc and atraton
Analyse Crystal structure of the mutant E241Q of atrazine chlorohydrolase trzn from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LSC
- Type
- protein
- Length
- 906 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triazine hydrolase
- UniProt
- Q6SJY7
- Ligands
- AOO, ZN
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triazine hydrolase | protein | 453 | 39% helix, 22% strand | Q6SJY7 |
Ligands and binding sites
- AOO · N-ethyl-6-methoxy-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.80 | 0.98 | 37 | empty |
| 2 | 101 | 0.77 | 0.97 | 24 | AOO |
| 3 | 182 | 0.70 | 0.88 | 32 | empty |
| 4 | 418 | 0.65 | 0.79 | 41 | empty |
| 5 | 71 | 0.41 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2738 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 3LSC · Crystal structure of the mutant E241Q of atrazine chlorohydrolase TrzN from Arthrobacter… · 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 Q6SJY7
- Elsewhere: RCSB PDB 3LSC · PDBe 3LSC · UniProt Q6SJY7
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