Chlorine in PDB 3b0j: M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf

All present enzymatic activity of M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf:
1.7.7.1;

The structure of M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf, PDB code: 3b0j 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)	30.69 / 1.70
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	133.551, 133.551, 77.805, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 17.6

The structure of M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf (pdb code 3b0j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf, PDB code: 3b0j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:17.6 occ:1.00 O A:HOH1285 2.8 35.4 1.0 N A:GLU175 3.1 8.7 1.0 O A:HOH1065 3.2 13.2 1.0 O A:HOH1002 3.3 34.0 1.0 O A:HOH1935 3.6 33.3 1.0 NH1 A:ARG179 3.6 8.2 1.0 CE2 A:PHE96 3.8 8.9 1.0 CA A:GLU175 3.8 9.7 1.0 CMA A:SRM601 3.8 11.0 1.0 CD A:LYS91 3.8 20.4 1.0 O A:HOH1054 3.9 17.8 1.0 CD A:GLU175 3.9 16.4 1.0 OE2 A:GLU175 4.0 18.9 1.0 CG A:GLU175 4.1 13.3 1.0 C A:GLY174 4.1 8.4 1.0 CA A:GLY174 4.2 7.8 1.0 OE1 A:GLU175 4.4 17.0 1.0 CD2 A:PHE96 4.5 9.6 1.0 CZ A:ARG179 4.5 8.0 1.0 CB A:GLU175 4.5 10.1 1.0 O3D A:SRM601 4.5 14.2 1.0 NZ A:LYS91 4.6 24.2 1.0 O A:HOH1745 4.6 26.6 1.0 O A:HOH1932 4.6 20.1 1.0 CHA A:SRM601 4.6 9.8 1.0 CE A:LYS91 4.7 22.0 1.0 CZ A:PHE96 4.7 9.6 1.0 NH2 A:ARG179 4.7 8.3 1.0 CG A:LYS91 4.8 15.1 1.0 O4A A:SRM601 4.9 10.6 0.5 C2A A:SRM601 4.9 9.5 1.0

Chlorine binding site 2 out of 2 in the M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of M175E Mutant of Assimilatory Nitrite Reductase (NII3) From Tobbaco Leaf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:16.8 occ:1.00 O A:HOH1133 3.0 29.9 1.0 O A:HOH1018 3.2 11.2 1.0 N A:LYS100 3.4 13.7 1.0 N A:ARG99 3.5 11.9 1.0 CA A:GLY447 3.8 10.8 1.0 CB A:LYS100 3.9 14.3 1.0 CB A:ARG99 4.0 12.1 1.0 CA A:ARG99 4.0 12.5 1.0 O A:HIS97 4.1 10.3 1.0 C A:ARG98 4.1 11.1 1.0 N A:GLY447 4.2 10.6 1.0 C A:ARG99 4.2 12.8 1.0 CA A:LYS100 4.3 14.4 1.0 CA A:ARG98 4.5 10.7 1.0 OE1 A:GLN448 4.7 14.8 0.5 O A:HOH1528 4.8 44.6 1.0 O A:HOH1741 4.8 49.0 1.0 C A:GLY447 4.8 11.4 1.0 NH1 A:ARG98 4.9 10.2 1.0 O A:ARG98 5.0 11.0 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