Iron in PDB 3qpi: Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi

All present enzymatic activity of Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi:
1.13.11.49;

The structure of Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi, PDB code: 3qpi was solved by G.Mlynek, B.Sjoeblom, J.Kostan, S.Fuereder, F.Maixner, P.G.Furtmueller, O.Obinger, M.Wagner, H.Daims, K.Djinovic-Carugo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.89 / 2.10
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	102.620, 102.620, 49.120, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.8

The binding sites of Iron atom in the Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi (pdb code 3qpi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi, PDB code: 3qpi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:23.8 occ:1.00 FE A:HEM1001 0.0 23.8 1.0 ND A:HEM1001 1.9 13.2 1.0 NC A:HEM1001 1.9 18.5 1.0 NB A:HEM1001 2.0 16.2 1.0 NA A:HEM1001 2.1 10.3 1.0 NE2 A:HIS114 2.2 36.0 1.0 C4C A:HEM1001 2.9 18.7 1.0 C1D A:HEM1001 2.9 17.6 1.0 O A:HOH286 2.9 29.1 1.0 C4D A:HEM1001 3.0 6.1 1.0 C4B A:HEM1001 3.0 11.9 1.0 CE1 A:HIS114 3.0 36.7 1.0 C1C A:HEM1001 3.0 7.4 1.0 C1A A:HEM1001 3.1 6.8 1.0 C1B A:HEM1001 3.1 20.7 1.0 CHD A:HEM1001 3.2 17.1 1.0 C4A A:HEM1001 3.2 19.2 1.0 CD2 A:HIS114 3.3 33.0 1.0 CHC A:HEM1001 3.4 20.8 1.0 CHA A:HEM1001 3.4 18.8 1.0 CHB A:HEM1001 3.6 24.8 1.0 O A:HOH273 4.1 45.4 1.0 C3C A:HEM1001 4.1 11.4 1.0 C2D A:HEM1001 4.2 10.0 1.0 ND1 A:HIS114 4.2 37.3 1.0 C3D A:HEM1001 4.2 16.6 1.0 C2C A:HEM1001 4.2 15.4 1.0 C3B A:HEM1001 4.2 21.8 1.0 C2B A:HEM1001 4.3 16.8 1.0 CG A:HIS114 4.3 34.1 1.0 C2A A:HEM1001 4.3 12.5 1.0 C3A A:HEM1001 4.4 4.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Dimeric Chlorite Dismutases From Nitrobacter Winogradskyi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:21.4 occ:1.00 FE B:HEM1001 0.0 21.4 1.0 NA B:HEM1001 2.0 26.3 1.0 NC B:HEM1001 2.1 22.9 1.0 NB B:HEM1001 2.1 25.5 1.0 NE2 B:HIS114 2.1 21.1 1.0 ND B:HEM1001 2.2 21.0 1.0 O B:HOH202 2.3 16.9 1.0 C1A B:HEM1001 3.0 23.7 1.0 C4A B:HEM1001 3.0 24.4 1.0 CE1 B:HIS114 3.0 24.8 1.0 CD2 B:HIS114 3.0 25.0 1.0 C1B B:HEM1001 3.1 29.3 1.0 C4C B:HEM1001 3.1 22.7 1.0 C1C B:HEM1001 3.1 16.6 1.0 C4B B:HEM1001 3.1 29.4 1.0 C4D B:HEM1001 3.1 21.2 1.0 C1D B:HEM1001 3.2 18.6 1.0 CHA B:HEM1001 3.4 20.7 1.0 CHB B:HEM1001 3.4 25.5 1.0 CHC B:HEM1001 3.5 22.2 1.0 CHD B:HEM1001 3.5 12.2 1.0 ND1 B:HIS114 4.1 24.3 1.0 O B:HOH218 4.1 40.0 1.0 CG B:HIS114 4.2 22.2 1.0 C2A B:HEM1001 4.2 28.7 1.0 C3A B:HEM1001 4.2 28.4 1.0 C2B B:HEM1001 4.3 33.6 1.0 C3C B:HEM1001 4.3 18.9 1.0 C2C B:HEM1001 4.3 20.4 1.0 C3B B:HEM1001 4.3 32.9 1.0 C3D B:HEM1001 4.4 20.7 1.0 C2D B:HEM1001 4.4 16.0 1.0 O B:HOH220 4.4 35.1 1.0 CD B:ARG127 4.9 26.6 1.0

G.Mlynek, B.Sjoblom, J.Kostan, S.Fureder, F.Maixner, K.Gysel, P.G.Furtmuller, C.Obinger, M.Wagner, H.Daims, K.Djinovic-Carugo. Unexpected Diversity of Chlorite Dismutases: A Catalytically Efficient Dimeric Enzyme From Nitrobacter Winogradskyi. J.Bacteriol. V. 193 2408 2011.
ISSN: ISSN 0021-9193
PubMed: 21441524
DOI: 10.1128/JB.01262-10