Sodium in PDB 8cqv: Flavin Mononucleotide-Dependent Nitroreductase B.Thetaiotaomicron (BT_3392)

The structure of Flavin Mononucleotide-Dependent Nitroreductase B.Thetaiotaomicron (BT_3392), PDB code: 8cqv was solved by J.Blaha, L.Adam, K.S.H.Beckham, G.Chojnowski, M.Wilmanns, M.Zimmermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.31 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.894, 40.623, 75.497, 90, 100, 90
R / Rfree (%)	17.2 / 20.6

The binding sites of Sodium atom in the Flavin Mononucleotide-Dependent Nitroreductase B.Thetaiotaomicron (BT_3392) (pdb code 8cqv). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Flavin Mononucleotide-Dependent Nitroreductase B.Thetaiotaomicron (BT_3392), PDB code: 8cqv:

Sodium binding site 1 out of 1 in the Flavin Mononucleotide-Dependent Nitroreductase B.Thetaiotaomicron (BT_3392)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Flavin Mononucleotide-Dependent Nitroreductase B.Thetaiotaomicron (BT_3392) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:33.6 occ:1.00 O A:MET3 2.2 24.2 0.8 O A:ASP143 2.3 21.3 1.0 O A:GLY1 2.5 36.7 1.0 OD1 A:ASP143 2.6 23.7 1.0 O A:HOH462 2.6 32.4 1.0 HA A:GLU4 3.1 26.9 1.0 C A:ASP143 3.2 20.1 1.0 C A:MET3 3.3 28.8 0.8 CG A:ASP143 3.3 21.5 1.0 HH11 A:ARG5 3.3 24.6 0.0 HA A:VAL144 3.4 21.9 1.0 HH12 A:ARG5 3.4 24.6 0.0 H1 A:GLY1 3.5 43.4 1.0 H2 A:GLY1 3.5 42.3 1.0 C A:GLY1 3.6 40.4 1.0 NH1 A:ARG5 3.6 33.2 1.0 HG3 A:ARG5 3.7 27.3 1.0 H A:ARG5 3.8 23.6 1.0 N A:GLY1 3.9 44.6 1.0 CA A:GLU4 3.9 27.4 1.0 CA A:ASP143 3.9 18.7 1.0 HA A:ASP143 3.9 19.3 1.0 N A:GLU4 4.0 29.0 1.0 N A:VAL144 4.0 18.2 1.0 OD2 A:ASP143 4.0 21.9 1.0 CB A:ASP143 4.0 19.6 1.0 C A:PRO2 4.1 36.1 1.0 N A:MET3 4.1 33.0 0.8 O A:PRO2 4.1 41.3 1.0 CA A:VAL144 4.1 21.4 1.0 HB3 A:ASP143 4.2 19.6 1.0 N A:ARG5 4.3 24.0 1.0 C A:GLU4 4.3 25.4 1.0 CA A:GLY1 4.3 41.0 1.0 CA A:MET3 4.4 32.1 0.8 H A:MET3 4.4 34.1 0.8 HG12 A:VAL144 4.6 26.9 1.0 N A:PRO2 4.6 37.9 1.0 CZ A:ARG5 4.7 35.5 1.0 H3 A:GLY1 4.7 43.1 1.0 CG A:ARG5 4.7 27.1 1.0 CA A:PRO2 4.7 36.8 1.0 HA3 A:GLY1 4.7 42.8 1.0 O A:HOH470 4.7 34.3 1.0 H A:VAL144 4.8 18.5 1.0 HA A:PRO2 4.8 36.3 1.0 H A:GLU4 4.8 29.2 1.0 HG2 A:GLU4 4.9 30.7 1.0 C A:VAL144 4.9 20.5 1.0 HB2 A:ASP143 4.9 19.1 1.0 HB3 A:MET3 4.9 34.2 0.8

J.Blaha, L.Adam, S.Graztl, G.Chojnowski, C.Litz, S.A.Mortensen, M.Zimmermann, K.S.H.Beckham, M.Wilmanns. Structural Insights Into the Diversity of Nitroreductase Enzymes in Bacteroides Thetaiotaomicron To Be Published.