Iron in PDB 7cy6: Crystal Structure of CMD1 in Complex with 5MC-Dna

The structure of Crystal Structure of CMD1 in Complex with 5MC-Dna, PDB code: 7cy6 was solved by W.Li, T.Zhang, M.Sun, J.Ding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.173, 127.055, 64.217, 90, 102.74, 90
R / Rfree (%)	18.2 / 22.7

The binding sites of Iron atom in the Crystal Structure of CMD1 in Complex with 5MC-Dna (pdb code 7cy6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of CMD1 in Complex with 5MC-Dna, PDB code: 7cy6:

Iron binding site 1 out of 1 in the Crystal Structure of CMD1 in Complex with 5MC-Dna


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of CMD1 in Complex with 5MC-Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe616 b:36.0 occ:1.00 NE2 A:HIS397 2.2 24.3 1.0 NE2 A:HIS345 2.4 22.8 1.0 OD2 A:ASP347 2.6 37.9 1.0 O A:HOH1082 2.6 37.8 1.0 OD1 A:ASP347 3.0 39.6 1.0 CG A:ASP347 3.1 37.1 1.0 CE1 A:HIS397 3.1 22.2 1.0 CD2 A:HIS397 3.3 20.9 1.0 CE1 A:HIS345 3.3 23.7 1.0 CD2 A:HIS345 3.4 19.4 1.0 NH1 A:ARG244 3.5 45.4 1.0 O A:HOH845 3.8 37.8 1.0 ND1 A:HIS397 4.3 19.8 1.0 CG A:HIS397 4.4 19.6 1.0 ND1 A:HIS345 4.4 23.5 1.0 CG A:HIS345 4.5 23.1 1.0 CB A:ASP347 4.6 32.5 1.0 CZ A:ARG244 4.8 42.9 1.0 O A:HOH725 4.9 29.3 1.0 N A:ASP347 5.0 29.0 1.0

W.Li, T.Zhang, M.Sun, Y.Shi, X.Zhang, G.Xu, J.Ding. Crystal Structures of Algal Tet Homologue CMD1 Provide Insight Into the Molecular Mechanism For Vitamin C-Derived C5-Glyceryl-Methylcytosine Dna Modification To Be Published.