Chlorine in PDB 3vkr: Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose

All present enzymatic activity of Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose:
1.7.7.1;

The structure of Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose, PDB code: 3vkr was solved by S.Nakano, M.Takahashi, A.Sakamoto, H.Morikawa, K.Katayanagi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.22 / 1.60
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	134.165, 134.165, 78.002, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 16.5

The structure of Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose also contains other interesting chemical elements:

Potassium	(K)	1 atom
Iron	(Fe)	5 atoms

The binding sites of Chlorine atom in the Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose (pdb code 3vkr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose, PDB code: 3vkr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:20.1 occ:1.00 O A:HOH1285 2.8 18.3 1.0 N A:MET175 3.0 7.4 1.0 O A:HOH1065 3.2 13.3 1.0 NH1 A:ARG179 3.6 8.0 1.0 CA A:MET175 3.7 8.2 1.0 CE2 A:PHE96 3.8 7.2 1.0 CMA A:SRM601 4.0 8.2 1.0 O A:HOH1054 4.0 17.5 1.0 C A:GLY174 4.0 7.8 1.0 CA A:GLY174 4.1 7.6 1.0 CD A:LYS91 4.1 10.5 1.0 CG A:MET175 4.1 9.9 1.0 SD A:MET175 4.2 13.0 1.0 CB A:MET175 4.5 8.3 1.0 CZ A:ARG179 4.6 7.2 1.0 O A:HOH1908 4.6 24.6 1.0 O3D A:SRM601 4.6 13.3 1.0 CD2 A:PHE96 4.6 7.7 1.0 CZ A:PHE96 4.7 7.0 1.0 CE A:LYS91 4.8 13.2 1.0 NH2 A:ARG179 4.8 7.3 1.0 NZ A:LYS91 4.9 14.2 1.0 C A:MET175 4.9 7.8 1.0 O A:HOH1221 4.9 24.8 1.0 O1 A:NO2606 4.9 19.5 1.0 CHA A:SRM601 4.9 6.9 1.0 CG A:LYS91 4.9 9.0 1.0

Chlorine binding site 2 out of 2 in the Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Assimilatory Nitrite Reductase (NII3) - NO2 Complex From Tobbaco Leaf Analysed with High X-Ray Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:18.2 occ:1.00 O A:HOH1940 2.8 55.1 1.0 O A:HOH1133 3.0 19.5 1.0 O A:HOH1018 3.1 10.4 1.0 O A:HOH1864 3.3 36.0 1.0 N A:LYS100 3.3 11.7 1.0 O A:HOH1417 3.4 43.8 1.0 N A:ARG99 3.5 9.9 1.0 CA A:GLY447 3.8 10.2 1.0 CB A:LYS100 3.8 12.6 1.0 CB A:ARG99 4.0 10.4 1.0 CA A:ARG99 4.1 10.4 1.0 C A:ARG98 4.1 9.1 1.0 N A:GLY447 4.2 9.8 1.0 CA A:LYS100 4.2 12.1 1.0 C A:ARG99 4.2 11.0 1.0 O A:HIS97 4.3 9.1 1.0 CA A:ARG98 4.5 8.6 1.0 O A:HOH1588 4.5 29.7 1.0 O A:HOH1958 4.9 33.5 1.0 C A:GLY447 4.9 10.7 1.0 N A:ASN101 4.9 11.3 1.0 O A:ARG98 4.9 9.6 1.0 O A:HOH2052 4.9 28.2 1.0

S.Nakano, M.Takahashi, A.Sakamoto, H.Morikawa, K.Katayanagi. The Reductive Reaction Mechanism of Tobacco Nitrite Reductase Derived From A Combination of Crystal Structures and Ultraviolet-Visible Microspectroscopy Proteins V. 80 2035 2012.
ISSN: ISSN 0887-3585
PubMed: 22499059
DOI: 10.1002/PROT.24094