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Crystal structure of atrazine chlorohydrolase trzn from arthrobacter aurescens TC1 complexed with zinc

Analyse Crystal structure of atrazine chlorohydrolase trzn from arthrobacter aurescens… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3LS9
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: ZN
Pockets: 11 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Triazine hydrolase	protein	453	40% helix, 22% strand	Q6SJY7

Ligands and binding sites

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

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	139	0.80	0.98	36	empty
2	79	0.75	0.97	23	empty
3	86	0.74	0.96	23	empty
4	202	0.54	0.79	22	empty
5	70	0.53	0.86	18	empty

Interfaces

1 interface between chains.

A–B · 2773 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

3LS9 · Crystal structure of atrazine chlorohydrolase TrzN from Arthrobacter aurescens TC1… · the same entry in another collection · chain B against B, 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 3LS9 · PDBe 3LS9 · UniProt Q6SJY7

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