Manganese in PDB 3lf1: Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center

The structure of Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center, PDB code: 3lf1 was solved by R.Huether, T.C.Umland, W.L.Duax, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.81 / 2.32
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.152, 128.645, 59.832, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 23.9

The structure of Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese atom in the Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center (pdb code 3lf1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center, PDB code: 3lf1:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn267 b:47.2 occ:0.50 NE2 A:HIS264 2.3 29.1 1.0 O A:HOH369 2.9 19.7 1.0 CE1 A:HIS264 3.1 15.5 1.0 CD2 A:HIS264 3.4 18.0 1.0 MN B:MN267 3.5 39.2 0.5 O A:HOH391 3.8 23.4 1.0 NE2 B:HIS264 4.2 32.1 1.0 ND1 A:HIS264 4.2 29.9 1.0 CG A:HIS264 4.4 26.5 1.0 O A:ALA265 4.6 38.7 1.0 CD2 B:HIS264 4.6 24.3 1.0 CE1 B:HIS264 5.0 20.6 1.0

Manganese binding site 2 out of 3 in the Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn267 b:39.2 occ:0.50 NE2 B:HIS264 2.2 32.1 1.0 O B:HOH386 2.7 41.0 1.0 O A:HOH369 2.9 19.7 1.0 CE1 B:HIS264 3.1 20.6 1.0 CD2 B:HIS264 3.3 24.3 1.0 MN A:MN267 3.5 47.2 0.5 ND1 B:HIS264 4.3 28.1 1.0 CG B:HIS264 4.4 27.0 1.0 NE2 A:HIS264 4.4 29.1 1.0 O B:ALA265 4.9 41.3 1.0 CD2 A:HIS264 4.9 18.0 1.0 CE1 A:HIS264 4.9 15.5 1.0

Manganese binding site 3 out of 3 in the Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Apo Structure of the Short Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Containing An Atypical Catalytic Center within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn268 b:44.1 occ:0.50 OE2 B:GLU79 2.1 41.1 1.0 OE2 B:GLU82 2.2 75.9 1.0 CD B:GLU82 2.7 65.2 1.0 OE1 B:GLU82 2.9 66.6 1.0 CD B:GLU79 3.0 34.3 1.0 OE1 B:GLU79 3.1 34.4 1.0 CG B:GLU82 3.8 54.7 1.0 NE B:ARG83 4.4 35.4 1.0 CG B:GLU79 4.4 39.3 1.0 NH2 B:ARG83 4.5 44.8 1.0 CB B:GLU82 4.7 46.9 1.0 CG B:ARG83 4.8 37.8 1.0 CZ B:ARG83 4.9 38.1 1.0

R.Huether, Q.Mao, W.L.Duax, T.C.Umland. The Short-Chain Oxidoreductase Q9HYA2 From Pseudomonas Aeruginosa PAO1 Contains An Atypical Catalytic Center. Protein Sci. V. 19 1097 2010.
ISSN: ISSN 0961-8368
PubMed: 20340135
DOI: 10.1002/PRO.384