Iron in PDB 4mhu: Crystal Structure of Ectd From S. Alaskensis with Bound Fe

The structure of Crystal Structure of Ectd From S. Alaskensis with Bound Fe, PDB code: 4mhu was solved by N.Widderich, A.Hoeppner, M.Pittelkow, J.Heider, S.H.Smits, E.Bremer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.165, 87.519, 96.045, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 26.6

The binding sites of Iron atom in the Crystal Structure of Ectd From S. Alaskensis with Bound Fe (pdb code 4mhu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Ectd From S. Alaskensis with Bound Fe, PDB code: 4mhu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Ectd From S. Alaskensis with Bound Fe


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 Ectd From S. Alaskensis with Bound Fe within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:92.8 occ:1.00 NE2 A:HIS144 2.6 48.7 1.0 OD1 A:ASP146 2.6 65.3 1.0 NE2 A:HIS245 2.7 48.9 1.0 OD2 A:ASP146 3.1 54.3 1.0 CE1 A:HIS144 3.2 51.3 1.0 CG A:ASP146 3.2 55.5 1.0 CE1 A:HIS245 3.4 49.6 1.0 CD2 A:HIS144 3.8 46.3 1.0 CD2 A:HIS245 3.9 44.5 1.0 CZ A:PHE260 4.2 91.5 1.0 ND1 A:HIS144 4.4 50.0 1.0 ND1 A:HIS245 4.6 49.6 1.0 CB A:ASP146 4.7 52.9 1.0 CG A:HIS144 4.7 47.6 1.0 CE2 A:PHE260 4.9 86.9 1.0 CG A:HIS245 4.9 45.1 1.0 CE1 A:PHE260 4.9 90.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Ectd From S. Alaskensis with Bound Fe


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Ectd From S. Alaskensis with Bound Fe within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:93.2 occ:1.00 NE2 B:HIS144 2.3 53.1 1.0 OD1 B:ASP146 2.5 52.1 1.0 NE2 B:HIS245 2.7 47.2 1.0 CE1 B:HIS144 3.0 54.6 1.0 CE1 B:HIS245 3.3 47.0 1.0 CD2 B:HIS144 3.4 48.1 1.0 CG B:ASP146 3.5 48.8 1.0 OD2 B:ASP146 3.7 46.8 1.0 CD2 B:HIS245 3.8 48.0 1.0 ND1 B:HIS144 4.2 49.5 1.0 CG B:HIS144 4.4 46.5 1.0 ND1 B:HIS245 4.5 48.9 1.0 CG B:HIS245 4.8 43.1 1.0 CZ B:PHE260 4.9 72.6 1.0 CB B:ASP146 4.9 45.4 1.0 NH1 B:ARG129 4.9 96.1 1.0

A.Hoppner, N.Widderich, M.Lenders, E.Bremer, S.H.Smits. Crystal Structure of the Ectoine Hydroxylase, A Snapshot of the Active Site. J.Biol.Chem. V. 289 29570 2014.
ISSN: ISSN 0021-9258
PubMed: 25172507
DOI: 10.1074/JBC.M114.576769