Chlorine in PDB 3n2s: Structure of NFRA1 Nitroreductase From B. Subtilis

All present enzymatic activity of Structure of NFRA1 Nitroreductase From B. Subtilis:
1.5.1.29;

The structure of Structure of NFRA1 Nitroreductase From B. Subtilis, PDB code: 3n2s was solved by S.Morera, V.Gueguen-Chaignon, P.Meyer, S.Cortial, J.Ouazzani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.42 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	52.550, 54.810, 90.500, 87.68, 87.64, 65.14
R / Rfree (%)	17.3 / 19.8

The binding sites of Chlorine atom in the Structure of NFRA1 Nitroreductase From B. Subtilis (pdb code 3n2s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of NFRA1 Nitroreductase From B. Subtilis, PDB code: 3n2s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of NFRA1 Nitroreductase From B. Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of NFRA1 Nitroreductase From B. Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl250 b:22.4 occ:1.00 NZ C:LYS216 2.2 26.2 0.5 O B:HOH271 2.9 35.6 1.0 O A:HOH295 3.3 16.1 1.0 NH2 A:ARG234 3.4 17.5 1.0 O A:HOH275 3.4 15.5 1.0 NH1 A:ARG234 3.4 17.8 1.0 CE C:LYS216 3.4 3.0 0.5 C A:GLY136 3.4 14.6 1.0 N A:GLY137 3.6 13.0 1.0 CE C:LYS216 3.6 13.1 0.5 CA A:GLY136 3.6 12.3 1.0 ND2 C:ASN214 3.7 41.9 1.0 N5 A:FMN400 3.8 11.2 1.0 O A:GLY136 3.8 15.1 1.0 CZ A:ARG234 3.8 23.2 1.0 O4 A:FMN400 4.1 12.2 1.0 N A:GLY136 4.2 12.1 1.0 CA A:GLY137 4.2 12.6 1.0 C4A A:FMN400 4.4 11.2 1.0 CD C:LYS216 4.5 3.0 0.5 C5A A:FMN400 4.5 11.2 1.0 C4 A:FMN400 4.6 11.7 1.0 CD C:LYS216 4.6 24.7 0.5 NZ C:LYS216 4.6 3.0 0.5 CG C:ASN214 4.6 47.9 1.0 C6 A:FMN400 4.6 11.5 1.0 OG B:SER41 4.6 22.9 1.0 CB C:ASN214 4.7 19.1 1.0 NH2 A:ARG139 4.7 17.7 1.0 O B:HOH288 5.0 19.8 1.0

Chlorine binding site 2 out of 2 in the Structure of NFRA1 Nitroreductase From B. Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of NFRA1 Nitroreductase From B. Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl250 b:27.4 occ:1.00 O A:HOH291 3.1 20.9 1.0 NH1 B:ARG234 3.1 26.9 1.0 O B:HOH290 3.3 18.6 1.0 C B:GLY136 3.4 17.3 1.0 O B:HOH392 3.4 22.8 1.0 CA B:GLY136 3.5 15.1 1.0 N B:GLY137 3.6 14.4 1.0 O B:GLY136 3.8 16.9 1.0 N5 B:FMN400 3.8 13.2 1.0 CZ B:ARG234 4.1 47.0 1.0 NH2 B:ARG234 4.1 33.4 1.0 N B:GLY136 4.1 14.9 1.0 O4 B:FMN400 4.2 14.1 1.0 CA B:GLY137 4.3 15.2 1.0 C5A B:FMN400 4.5 13.2 1.0 C4A B:FMN400 4.5 13.1 1.0 C6 B:FMN400 4.5 13.5 1.0 NH2 B:ARG139 4.6 21.4 1.0 C4 B:FMN400 4.7 13.6 1.0 O A:HOH337 4.8 23.0 1.0 OG A:SER41 4.9 17.4 1.0 OE2 A:GLU105 5.0 18.7 1.0

S.Cortial, P.Chaignon, B.I.Iorga, S.Aymerich, G.Truan, V.Gueguen-Chaignon, P.Meyer, S.Morera, J.Ouazzani. Nadh Oxidase Activity of Bacillus Subtilis Nitroreductase NFRA1: Insight Into Its Biological Role. Febs Lett. V. 584 3916 2010.
ISSN: ISSN 0014-5793
PubMed: 20727352
DOI: 10.1016/J.FEBSLET.2010.08.019