Manganese in PDB 3o1r: Iron-Catalyzed Oxidation Intermediates Captured in A Dna Repair Dioxygenase

The structure of Iron-Catalyzed Oxidation Intermediates Captured in A Dna Repair Dioxygenase, PDB code: 3o1r was solved by C.Yi, G.Jia, G.Hou, Q.Dai, W.Zhang, G.Zheng, X.Jian, C.-G.Yang, Q.Cui, C.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.465, 75.830, 51.976, 90.00, 108.24, 90.00
R / Rfree (%)	16.2 / 22

The binding sites of Manganese atom in the Iron-Catalyzed Oxidation Intermediates Captured in A Dna Repair Dioxygenase (pdb code 3o1r). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Iron-Catalyzed Oxidation Intermediates Captured in A Dna Repair Dioxygenase, PDB code: 3o1r:

Manganese binding site 1 out of 1 in the Iron-Catalyzed Oxidation Intermediates Captured in A Dna Repair Dioxygenase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Iron-Catalyzed Oxidation Intermediates Captured in A Dna Repair Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:8.1 occ:1.00 O2 A:AKG302 2.1 10.2 1.0 NE2 A:HIS187 2.1 2.7 1.0 NE2 A:HIS131 2.2 4.5 1.0 O5 A:AKG302 2.2 12.2 1.0 OD1 A:ASP133 2.2 9.3 1.0 O A:HOH410 2.4 15.5 1.0 C1 A:AKG302 2.8 16.1 1.0 C2 A:AKG302 2.8 14.8 1.0 CE1 A:HIS187 3.0 2.2 1.0 CE1 A:HIS131 3.1 4.7 1.0 CD2 A:HIS131 3.1 6.3 1.0 CG A:ASP133 3.2 12.0 1.0 CD2 A:HIS187 3.2 3.7 1.0 OD2 A:ASP133 3.4 21.3 1.0 O1 A:AKG302 4.0 16.6 1.0 NH2 A:ARG210 4.0 17.0 1.0 ND1 A:HIS187 4.2 3.6 1.0 ND1 A:HIS131 4.2 4.6 1.0 CG A:HIS131 4.2 5.4 1.0 O A:HOH461 4.2 26.2 1.0 CG A:HIS187 4.3 2.7 1.0 C3 A:AKG302 4.3 14.5 1.0 CB A:ASP133 4.5 10.0 1.0 CZ2 A:TRP178 4.6 8.5 1.0 C21 B:MDK8 4.7 5.7 1.0 C4 A:AKG302 4.8 17.8 1.0 N A:ASP133 4.9 9.5 1.0 CD2 A:LEU128 4.9 8.5 1.0 C3 B:MDK8 5.0 5.2 1.0 CA A:ASP133 5.0 10.8 1.0

C.Yi, G.Jia, G.Hou, Q.Dai, W.Zhang, G.Zheng, X.Jian, C.G.Yang, Q.Cui, C.He. Iron-Catalysed Oxidation Intermediates Captured in A Dna Repair Dioxygenase. Nature V. 468 330 2010.
ISSN: ISSN 0028-0836
PubMed: 21068844
DOI: 10.1038/NATURE09497