Chlorine in PDB 3b0h: Assimilatory Nitrite Reductase (NII4) From Tobbaco Root

All present enzymatic activity of Assimilatory Nitrite Reductase (NII4) From Tobbaco Root:
1.7.7.1;

The structure of Assimilatory Nitrite Reductase (NII4) From Tobbaco Root, PDB code: 3b0h 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)	46.25 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.343, 112.085, 92.503, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 24.1

The structure of Assimilatory Nitrite Reductase (NII4) From Tobbaco Root also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Iron	(Fe)	10 atoms

The binding sites of Chlorine atom in the Assimilatory Nitrite Reductase (NII4) From Tobbaco Root (pdb code 3b0h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Assimilatory Nitrite Reductase (NII4) From Tobbaco Root, PDB code: 3b0h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Assimilatory Nitrite Reductase (NII4) From Tobbaco Root


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 (NII4) From Tobbaco Root within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:28.3 occ:1.00 O A:HOH1130 2.9 25.2 1.0 N A:MET175 3.0 18.5 1.0 CA A:MET175 3.7 19.2 1.0 NH1 A:ARG179 3.7 15.1 1.0 CMA A:SRM601 3.8 22.6 1.0 CD A:LYS91 3.9 17.6 1.0 CG A:MET175 3.9 18.7 1.0 O A:HOH1069 4.0 26.3 1.0 CE2 A:PHE96 4.0 16.3 1.0 C A:GLY174 4.0 18.9 1.0 CA A:GLY174 4.1 19.0 1.0 SD A:MET175 4.2 18.9 1.0 CB A:MET175 4.4 19.5 1.0 NZ A:LYS91 4.6 21.0 1.0 CZ A:ARG179 4.6 14.8 1.0 CE A:LYS91 4.6 19.6 1.0 O3D A:SRM601 4.6 20.8 1.0 CD2 A:PHE96 4.7 16.9 1.0 NH2 A:ARG179 4.8 13.6 1.0 CHA A:SRM601 4.8 21.5 1.0 CG A:LYS91 4.9 17.0 1.0 C A:MET175 4.9 19.0 1.0 CZ A:PHE96 5.0 15.8 1.0 C2A A:SRM601 5.0 24.9 1.0

Chlorine binding site 2 out of 4 in the Assimilatory Nitrite Reductase (NII4) From Tobbaco Root


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 (NII4) From Tobbaco Root within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:23.0 occ:1.00 O A:HOH1143 3.2 26.7 1.0 O A:HOH1183 3.4 32.2 1.0 N A:LYS100 3.5 24.7 1.0 CA A:GLY448 3.6 24.3 1.0 N A:ARG99 3.6 22.9 1.0 CB A:LYS100 3.7 25.7 1.0 N A:GLY448 4.0 23.4 1.0 CB A:ARG99 4.0 23.3 1.0 O A:HIS97 4.2 20.6 1.0 CA A:ARG99 4.2 23.5 1.0 CA A:LYS100 4.2 25.1 1.0 C A:ARG98 4.3 22.2 1.0 C A:ARG99 4.3 24.2 1.0 CA A:ARG98 4.5 21.1 1.0 C A:GLY448 4.6 24.5 1.0 NH1 A:ARG98 4.8 15.8 1.0 CG A:ARG99 4.9 25.1 1.0 CG A:LYS100 5.0 28.1 1.0

Chlorine binding site 3 out of 4 in the Assimilatory Nitrite Reductase (NII4) From Tobbaco Root


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Assimilatory Nitrite Reductase (NII4) From Tobbaco Root within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:26.8 occ:1.00 O B:HOH804 3.0 18.2 1.0 N B:MET175 3.2 19.0 1.0 CD B:LYS91 3.8 19.9 1.0 CA B:MET175 3.8 19.3 1.0 CMA B:SRM601 3.8 19.7 1.0 NH1 B:ARG179 3.9 16.2 1.0 CE2 B:PHE96 3.9 18.8 1.0 SD B:MET175 4.1 21.9 1.0 CG B:MET175 4.1 19.4 1.0 C B:GLY174 4.2 18.9 1.0 CA B:GLY174 4.2 18.2 1.0 O3D B:SRM601 4.3 20.1 1.0 NZ B:LYS91 4.3 24.7 1.0 CE B:LYS91 4.4 22.4 1.0 CD2 B:PHE96 4.6 17.5 1.0 CB B:MET175 4.6 19.4 1.0 CG B:LYS91 4.7 18.6 1.0 CZ B:ARG179 4.8 13.1 1.0 CZ B:PHE96 4.9 18.6 1.0 CB B:LYS91 4.9 18.9 1.0 NH2 B:ARG179 5.0 11.9 1.0 C2A B:SRM601 5.0 22.0 1.0

Chlorine binding site 4 out of 4 in the Assimilatory Nitrite Reductase (NII4) From Tobbaco Root


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Assimilatory Nitrite Reductase (NII4) From Tobbaco Root within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:26.4 occ:1.00 O B:HOH832 3.0 21.1 1.0 O B:HOH893 3.1 50.3 1.0 O B:HOH942 3.1 27.3 1.0 N B:LYS100 3.5 28.2 1.0 N B:ARG99 3.5 25.1 1.0 CA B:GLY448 3.6 26.4 1.0 CB B:LYS100 3.8 28.8 1.0 CB B:ARG99 3.9 25.9 1.0 N B:GLY448 3.9 26.4 1.0 CA B:ARG99 4.1 26.1 1.0 O B:HIS97 4.1 21.5 1.0 C B:ARG98 4.2 23.5 1.0 CA B:LYS100 4.3 28.9 1.0 C B:ARG99 4.3 27.3 1.0 CA B:ARG98 4.4 22.4 1.0 O B:HOH905 4.7 61.6 1.0 C B:GLY448 4.7 26.8 1.0

S.Nakano, M.Takahashi, A.Sakamoto, H.Morikawa, K.Katayanagi. Structure-Function Relationship of Assimilatory Nitrite Reductases From the Leaf and Root of Tobacco Based on High Resolution Structures Protein Sci. V. 21 383 2012.
ISSN: ISSN 0961-8368
PubMed: 22238192
DOI: 10.1002/PRO.2025