Manganese in PDB 4rfr: Complex Structure of Alkb/Rhein

All present enzymatic activity of Complex Structure of Alkb/Rhein:
1.14.11.33;

The structure of Complex Structure of Alkb/Rhein, PDB code: 4rfr was solved by Q.Li, Y.Huang, J.F.Li, C.-G.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.950, 39.200, 40.521, 77.37, 74.67, 65.47
R / Rfree (%)	11.8 / 15

The binding sites of Manganese atom in the Complex Structure of Alkb/Rhein (pdb code 4rfr). 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 Complex Structure of Alkb/Rhein, PDB code: 4rfr:

Manganese binding site 1 out of 1 in the Complex Structure of Alkb/Rhein


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Complex Structure of Alkb/Rhein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:17.2 occ:1.00 OAC B:RHN301 2.0 17.9 1.0 OAF B:RHN301 2.1 17.2 1.0 OD1 B:ASP133 2.2 20.2 1.0 NE2 B:HIS131 2.3 16.9 1.0 O B:HOH401 2.3 19.6 1.0 NE2 B:HIS187 2.3 15.8 1.0 CAQ B:RHN301 3.0 13.4 1.0 CAO B:RHN301 3.1 14.6 1.0 CG B:ASP133 3.1 19.5 1.0 CE1 B:HIS131 3.2 17.2 1.0 CD2 B:HIS131 3.2 17.0 1.0 CE1 B:HIS187 3.2 15.7 1.0 CAU B:RHN301 3.3 14.2 1.0 CD2 B:HIS187 3.4 14.8 1.0 OD2 B:ASP133 3.4 21.7 1.0 OAE B:RHN301 3.8 18.8 1.0 CAT B:RHN301 3.9 16.5 1.0 O B:HOH545 4.0 23.2 1.0 NH2 B:ARG210 4.1 16.6 1.0 ND1 B:HIS131 4.3 16.1 1.0 CAJ B:RHN301 4.3 14.2 1.0 CAN B:RHN301 4.3 17.0 1.0 CG B:HIS131 4.3 15.5 1.0 O B:HOH402 4.3 49.7 1.0 ND1 B:HIS187 4.4 14.9 1.0 CB B:ASP133 4.4 17.6 1.0 CG B:HIS187 4.5 14.3 1.0 CAS B:RHN301 4.7 13.8 1.0 CD2 B:LEU128 5.0 17.9 1.0 N B:ASP133 5.0 16.0 1.0

Q.Li, Y.Huang, X.Liu, J.Gan, H.Chen, C.G.Yang. Rhein Inhibits Alkb Repair Enzymes and Sensitizes Cells to Methylated Dna Damage. J.Biol.Chem. V. 291 11083 2016.
ISSN: ISSN 0021-9258
PubMed: 27015802
DOI: 10.1074/JBC.M115.711895