Manganese in PDB 2jcd: Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus

The structure of Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus, PDB code: 2jcd was solved by G.E.Zocher, R.Winkler, C.Hertweck, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.222, 115.438, 125.801, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.2

The binding sites of Manganese atom in the Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus (pdb code 2jcd). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus, PDB code: 2jcd:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1322 b:24.6 occ:1.00 OE1 A:GLU101 2.1 28.9 1.0 OE2 A:GLU227 2.1 23.3 1.0 OE2 A:GLU136 2.1 27.4 1.0 ND1 A:HIS139 2.2 19.9 1.0 NE2 A:HIS223 2.3 25.4 1.0 O A:HOH2267 2.6 33.6 0.5 O A:HOH2268 2.9 20.9 0.5 CD A:GLU101 3.0 32.1 1.0 CE1 A:HIS139 3.1 23.2 1.0 CD A:GLU227 3.2 26.1 1.0 CD2 A:HIS223 3.2 22.7 1.0 OE2 A:GLU101 3.2 34.9 1.0 CG A:HIS139 3.2 21.9 1.0 CD A:GLU136 3.3 24.8 1.0 CE1 A:HIS223 3.3 24.3 1.0 MN A:MN1323 3.6 24.3 1.0 CB A:HIS139 3.6 21.7 1.0 OE1 A:GLU136 3.8 25.8 1.0 CG A:GLU227 4.0 22.7 1.0 OE1 A:GLU227 4.0 22.0 1.0 NE2 A:HIS139 4.2 24.9 1.0 CD2 A:HIS139 4.3 18.4 1.0 CA A:GLU136 4.3 20.7 1.0 CG A:HIS223 4.3 24.4 1.0 CG A:GLU101 4.4 27.6 1.0 CE1 A:HIS230 4.4 20.9 1.0 ND1 A:HIS223 4.4 23.9 1.0 ND1 A:HIS230 4.4 20.3 1.0 CG A:GLU136 4.5 19.2 1.0 CB A:GLU136 4.6 20.7 1.0 CD1 A:ILE199 4.6 35.7 1.0 N A:GLU136 4.9 21.1 1.0

Manganese binding site 2 out of 4 in the Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1323 b:24.3 occ:1.00 O A:HOH2268 1.8 20.9 0.5 OE1 A:GLU196 2.0 27.5 1.0 OE1 A:GLU136 2.1 25.8 1.0 ND1 A:HIS230 2.1 20.3 1.0 OE1 A:GLU227 2.1 22.0 1.0 OE2 A:GLU227 2.5 23.3 1.0 CD A:GLU227 2.6 26.1 1.0 CD A:GLU196 2.7 26.8 1.0 OE2 A:GLU196 2.7 28.6 1.0 CD A:GLU136 3.0 24.8 1.0 CE1 A:HIS230 3.0 20.9 1.0 OE2 A:GLU136 3.1 27.4 1.0 CG A:HIS230 3.1 21.1 1.0 O A:HOH2267 3.3 33.6 0.5 CB A:HIS230 3.5 23.2 1.0 MN A:MN1322 3.6 24.6 1.0 CG A:GLU227 4.1 22.7 1.0 O A:HOH2175 4.2 47.2 1.0 NE2 A:HIS230 4.2 20.1 1.0 CG A:GLU196 4.2 26.0 1.0 CD2 A:HIS230 4.3 19.3 1.0 OE2 A:GLU101 4.4 34.9 1.0 CG A:GLU136 4.4 19.2 1.0 CE2 A:PHE109 4.5 26.9 1.0 CZ A:PHE109 4.6 25.9 1.0 CB A:GLU227 4.8 22.5 1.0 CB A:GLU196 4.8 25.9 1.0 CG2 A:ILE199 4.8 32.2 1.0 ND1 A:HIS139 5.0 19.9 1.0 CA A:GLU227 5.0 23.0 1.0 OE1 A:GLU101 5.0 28.9 1.0

Manganese binding site 3 out of 4 in the Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1320 b:29.5 occ:1.00 OE1 B:GLU101 2.0 34.2 1.0 OE2 B:GLU227 2.1 37.1 1.0 OE2 B:GLU136 2.1 29.5 1.0 NE2 B:HIS223 2.2 24.4 1.0 ND1 B:HIS139 2.3 27.0 1.0 O B:HOH2163 2.7 38.2 1.0 CD B:GLU101 2.9 38.0 1.0 CD B:GLU227 3.1 39.7 1.0 CE1 B:HIS223 3.1 26.8 1.0 OE2 B:GLU101 3.2 39.8 1.0 CD2 B:HIS223 3.2 26.6 1.0 CE1 B:HIS139 3.2 26.9 1.0 CG B:HIS139 3.2 27.6 1.0 CD B:GLU136 3.3 28.5 1.0 CB B:HIS139 3.6 25.8 1.0 MN B:MN1321 3.7 33.6 1.0 OE1 B:GLU136 3.9 32.7 1.0 CG B:GLU227 3.9 37.4 1.0 OE1 B:GLU227 4.0 35.7 1.0 ND1 B:HIS223 4.2 25.6 1.0 CG B:GLU101 4.3 30.6 1.0 CG B:HIS223 4.3 27.0 1.0 NE2 B:HIS139 4.3 28.1 1.0 CD2 B:HIS139 4.3 28.1 1.0 CA B:GLU136 4.4 26.0 1.0 CE1 B:HIS230 4.5 32.5 1.0 CG B:GLU136 4.5 26.1 1.0 ND1 B:HIS230 4.6 33.7 1.0 CB B:GLU136 4.7 26.5 1.0 O B:HOH2117 4.8 49.7 1.0

Manganese binding site 4 out of 4 in the Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of the N-Oxygenase Aurf From Streptomyces Thioluteus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1321 b:33.6 occ:1.00 OE1 B:GLU227 2.0 35.7 1.0 OE1 B:GLU196 2.1 38.6 1.0 OE1 B:GLU136 2.2 32.7 1.0 ND1 B:HIS230 2.2 33.7 1.0 OE2 B:GLU227 2.4 37.1 1.0 O B:HOH2163 2.5 38.2 1.0 CD B:GLU227 2.6 39.7 1.0 OE2 B:GLU196 2.6 42.4 1.0 CD B:GLU196 2.7 39.7 1.0 CD B:GLU136 3.0 28.5 1.0 OE2 B:GLU136 3.1 29.5 1.0 CE1 B:HIS230 3.1 32.5 1.0 CG B:HIS230 3.3 33.9 1.0 CB B:HIS230 3.6 35.1 1.0 MN B:MN1320 3.7 29.5 1.0 CG B:GLU227 4.1 37.4 1.0 CG B:GLU196 4.2 40.1 1.0 NE2 B:HIS230 4.3 35.8 1.0 OE2 B:GLU101 4.4 39.8 1.0 CD2 B:HIS230 4.4 32.6 1.0 CG B:GLU136 4.4 26.1 1.0 O B:HOH2117 4.5 49.7 1.0 CE2 B:PHE109 4.6 29.9 1.0 CZ B:PHE109 4.7 32.5 1.0 CB B:GLU227 4.8 34.8 1.0 CB B:GLU196 4.9 38.2 1.0 CA B:GLU227 5.0 35.1 1.0 CA B:GLU196 5.0 37.4 1.0

G.E.Zocher, R.Winkler, C.Hertweck, G.E.Schulz. Structure and Action of the N-Oxygenase Aurf From Streptomyces Thioluteus. J.Mol.Biol. V. 373 65 2007.
ISSN: ISSN 0022-2836
PubMed: 17765264
DOI: 10.1016/J.JMB.2007.06.014