Manganese in PDB 4jht: Crystal Structure of Alkb in Complex with 5-Carboxy-8-Hydroxyquinoline (IOX1)

All present enzymatic activity of Crystal Structure of Alkb in Complex with 5-Carboxy-8-Hydroxyquinoline (IOX1):
1.14.11.33;

The structure of Crystal Structure of Alkb in Complex with 5-Carboxy-8-Hydroxyquinoline (IOX1), PDB code: 4jht was solved by W.S.Aik, M.A.Mcdonough, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.77 / 1.18
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.839, 38.848, 40.450, 77.62, 75.01, 66.10
R / Rfree (%)	15.9 / 16.6

The binding sites of Manganese atom in the Crystal Structure of Alkb in Complex with 5-Carboxy-8-Hydroxyquinoline (IOX1) (pdb code 4jht). 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 Crystal Structure of Alkb in Complex with 5-Carboxy-8-Hydroxyquinoline (IOX1), PDB code: 4jht:

Manganese binding site 1 out of 1 in the Crystal Structure of Alkb in Complex with 5-Carboxy-8-Hydroxyquinoline (IOX1)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Alkb in Complex with 5-Carboxy-8-Hydroxyquinoline (IOX1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn304 b:18.8 occ:0.90 OD1 A:ASP133 2.1 20.9 1.0 OAC A:8XQ301 2.2 15.8 0.5 NE2 A:HIS131 2.2 19.8 1.0 O A:HOH552 2.3 22.5 1.0 NAI A:8XQ301 2.3 13.9 0.5 NE2 A:HIS187 2.4 18.5 1.0 CAK A:8XQ301 3.0 13.6 0.5 CAN A:8XQ301 3.1 12.0 0.5 CG A:ASP133 3.1 23.2 1.0 CE1 A:HIS131 3.1 18.3 1.0 CD2 A:HIS131 3.3 18.8 1.0 CE1 A:HIS187 3.3 17.1 1.0 CAE A:8XQ301 3.3 14.8 0.5 CD2 A:HIS187 3.4 19.0 1.0 OD2 A:ASP133 3.5 29.6 1.0 O A:HOH571 4.1 28.7 1.0 ND1 A:HIS131 4.3 19.3 1.0 CAF A:8XQ301 4.3 18.6 0.5 CG A:HIS131 4.4 18.6 1.0 ND1 A:HIS187 4.4 18.3 1.0 NH2 A:ARG210 4.4 20.5 1.0 CB A:ASP133 4.4 19.1 1.0 CAM A:8XQ301 4.5 12.3 0.5 CG A:HIS187 4.5 17.2 1.0 O A:HOH565 4.5 39.9 1.0 CAD A:8XQ301 4.6 14.0 0.5 CD2 A:LEU128 4.9 24.3 0.3

R.J.Hopkinson, A.Tumber, C.Yapp, R.Chowdhury, W.Aik, K.H.Che, X.S.Li, J.B.L.Kristensen, O.N.F.King, M.C.Chan, K.K.Yeoh, H.Choi, L.J.Walport, C.C.Thinnes, J.T.Bush, C.Lejeune, A.M.Rydzik, N.R.Rose, E.A.Bagg, M.A.Mcdonough, T.Krojer, W.W.Yue, S.S.Ng, L.Olsen, P.E.Brennan, U.Oppermann, S.Muller-Knapp, R.J.Klose, P.J.Ratcliffe, C.J.Schofield, A.Kawamura. 5-Carboxy-8-Hydroxyquinoline Is A Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor Which Causes Iron Translocation. Chem Sci V. 4 3110 2013.
ISSN: ISSN 2041-6520
PubMed: 26682036
DOI: 10.1039/C3SC51122G