Chlorine in PDB 3vly: Assimilatory Nitrite Reductase (NII3) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf

All present enzymatic activity of Assimilatory Nitrite Reductase (NII3) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf:
1.7.7.1;

The structure of Assimilatory Nitrite Reductase (NII3) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf, PDB code: 3vly 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)	35.99 / 1.55
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	133.657, 133.657, 77.823, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 17.6

The structure of Assimilatory Nitrite Reductase (NII3) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf 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) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf (pdb code 3vly). 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) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf, PDB code: 3vly:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Assimilatory Nitrite Reductase (NII3) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf


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) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:25.5 occ:1.00 O A:HOH1054 2.8 19.3 1.0 O A:HOH1285 2.9 20.4 1.0 N A:MET175 2.9 9.4 1.0 O A:HOH1065 3.3 15.1 1.0 NH1 A:ARG179 3.6 11.3 1.0 CA A:MET175 3.7 9.9 1.0 CE2 A:PHE96 3.7 8.2 1.0 C A:GLY174 3.9 9.1 1.0 CD A:LYS91 3.9 12.1 1.0 CA A:GLY174 3.9 9.0 1.0 CMA A:SRM601 3.9 9.6 1.0 CG A:MET175 4.0 11.5 1.0 SD A:MET175 4.2 15.7 1.0 CB A:MET175 4.4 10.2 1.0 CD2 A:PHE96 4.5 9.9 1.0 CZ A:ARG179 4.5 10.5 1.0 O2 A:SO3606 4.5 15.6 1.0 CZ A:PHE96 4.6 7.9 1.0 O3D A:SRM601 4.7 19.6 1.0 CE A:LYS91 4.8 14.2 1.0 CG A:LYS91 4.8 10.8 1.0 NZ A:LYS91 4.8 16.3 1.0 O A:HOH1908 4.8 46.0 1.0 CB A:LYS91 4.9 8.9 1.0 C A:MET175 4.9 9.7 1.0 NH2 A:ARG179 4.9 12.0 1.0

Chlorine binding site 2 out of 2 in the Assimilatory Nitrite Reductase (NII3) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf


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) - N226K Mutant - SO3 Partial Complex From Tobacco Leaf within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:17.7 occ:1.00 O A:HOH1133 3.0 26.6 1.0 O A:HOH1018 3.1 12.4 1.0 N A:LYS100 3.3 12.9 1.0 N A:ARG99 3.5 11.1 1.0 O A:HOH1894 3.5 26.0 1.0 CA A:GLY447 3.8 11.7 1.0 CB A:LYS100 3.8 14.3 1.0 CA A:ARG99 4.1 12.2 1.0 CB A:ARG99 4.1 12.1 1.0 C A:ARG98 4.1 10.8 1.0 N A:GLY447 4.1 11.6 1.0 CA A:LYS100 4.2 13.8 1.0 C A:ARG99 4.2 12.6 1.0 O A:HIS97 4.3 9.9 1.0 CA A:ARG98 4.5 10.6 1.0 O A:HOH1429 4.6 37.0 1.0 O A:HOH1676 4.7 46.9 1.0 NE2 A:GLN448 4.7 14.6 0.5 C A:GLY447 4.8 12.0 1.0 N A:ASN101 4.9 13.4 1.0 O A:ARG98 4.9 11.0 1.0 NH1 A:ARG98 5.0 10.4 1.0 O A:HOH1528 5.0 32.9 1.0

S.Nakano, M.Takahashi, A.Sakamoto, H.Morikawa, K.Katayanagi. X-Ray Crystal Structure of A Mutant Assimilatory Nitrite Reductase That Shows Sulfite Reductase-Like Activity Chem.Biodivers. V. 9 1989 2012.
ISSN: ISSN 1612-1872
PubMed: 22976986
DOI: 10.1002/CBDV.201100442