Chlorine in PDB 4dj4: X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato)

The structure of X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato), PDB code: 4dj4 was solved by T.Koval, A.Stepankova, P.Lipovova, T.Podzimek, J.Matousek, J.Duskova, T.Skalova, J.Hasek, J.Dohnalek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.35
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	113.322, 113.322, 138.322, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 20.7

The structure of X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato) also contains other interesting chemical elements:

Zinc	(Zn)	6 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato) (pdb code 4dj4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato), PDB code: 4dj4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:48.5 occ:0.50 O A:HOH728 2.8 46.0 1.0 NE1 A:TRP68 3.1 35.6 1.0 N2 A:NAG512 3.5 41.4 1.0 CE2 A:TRP68 3.8 36.3 1.0 CZ2 A:TRP68 3.9 35.5 1.0 C3 A:NAG512 4.0 44.0 1.0 CD1 A:TRP68 4.1 37.8 1.0 C2 A:NAG512 4.2 40.5 1.0 CZ3 A:TRP75 4.2 47.8 1.0 CH2 A:TRP75 4.3 43.7 1.0 O6 A:NAG511 4.3 42.5 1.0 C1 A:NAG512 4.3 40.5 1.0 C6 A:NAG511 4.4 42.4 1.0 C7 A:NAG512 4.5 39.8 1.0 C8 A:NAG512 4.5 37.4 1.0 O3 A:NAG512 4.6 39.7 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Mutant N211D of Bifunctional Nuclease TBN1 From Solanum Lycopersicum (Tomato) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:41.8 occ:0.50 N2 B:NAG512 3.1 56.2 1.0 NE1 B:TRP68 3.2 43.6 1.0 C3 B:NAG512 3.7 62.4 1.0 C2 B:NAG512 3.8 57.1 1.0 CH2 B:TRP75 4.0 43.3 1.0 CD1 B:TRP68 4.0 40.1 1.0 C7 B:NAG512 4.1 59.9 1.0 C8 B:NAG512 4.1 55.5 1.0 CE2 B:TRP68 4.2 40.9 1.0 C1 B:NAG512 4.2 54.1 1.0 O3 B:NAG512 4.3 63.3 1.0 C6 B:NAG511 4.3 46.2 1.0 CZ3 B:TRP75 4.4 43.3 1.0 O6 B:NAG511 4.5 40.4 1.0 CZ2 B:TRP68 4.5 42.4 1.0 C4 B:NAG512 4.8 64.2 1.0

T.Koval, P.Lipovova, T.Podzimek, J.Matousek, J.Duskova, T.Skalova, A.Stepankova, J.Hasek, J.Dohnalek. Plant Multifunctional Nuclease TBN1 with Unexpected Phospholipase Activity: Structural Study and Reaction-Mechanism Analysis. Acta Crystallogr.,Sect.D V. 69 213 2013.
ISSN: ISSN 0907-4449
PubMed: 23385457
DOI: 10.1107/S0907444912043697