Iron in PDB 4xpx: Crystal Structure of Hemerythrin:Wild-Type

The structure of Crystal Structure of Hemerythrin:Wild-Type, PDB code: 4xpx was solved by P.Chuankhayan, K.H.C.Chen, H.H.Wu, C.J.Chen, M.Fukuda, S.S.F.Yu, S.I.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.08 / 1.03
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	83.428, 83.428, 30.894, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 16.6

The binding sites of Iron atom in the Crystal Structure of Hemerythrin:Wild-Type (pdb code 4xpx). 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 Hemerythrin:Wild-Type, PDB code: 4xpx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Hemerythrin:Wild-Type


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 Hemerythrin:Wild-Type within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.0 occ:1.00 OD1 A:ASP122 2.1 7.2 1.0 NE2 A:HIS117 2.2 7.4 1.0 OE1 A:GLU62 2.2 8.0 1.0 NE2 A:HIS81 2.2 7.5 1.0 NE2 A:HIS77 2.2 7.8 1.0 O A:HOH401 2.3 10.4 1.0 CD A:GLU62 3.1 7.1 1.0 CE1 A:HIS81 3.1 7.7 1.0 CG A:ASP122 3.1 7.1 1.0 CD2 A:HIS117 3.1 7.6 1.0 CE1 A:HIS77 3.1 8.3 1.0 CE1 A:HIS117 3.2 7.4 1.0 CD2 A:HIS77 3.2 7.8 1.0 CD2 A:HIS81 3.2 7.4 1.0 OE2 A:GLU62 3.4 7.3 1.0 OD2 A:ASP122 3.5 7.9 1.0 FE A:FE2202 3.5 8.0 1.0 ND1 A:HIS81 4.3 8.0 1.0 CG A:HIS117 4.3 7.3 1.0 ND1 A:HIS117 4.3 7.5 1.0 ND1 A:HIS77 4.3 8.7 1.0 CG A:HIS77 4.4 8.0 1.0 CG A:HIS81 4.4 7.4 1.0 CG A:GLU62 4.5 8.0 1.0 CB A:ASP122 4.5 7.4 1.0 CE2 A:TYR125 4.7 8.4 1.0 O A:HOH400 4.7 4.7 1.0 CD2 A:PHE59 4.8 8.3 1.0 NE2 A:HIS58 4.8 7.8 1.0 CB A:GLU62 4.8 8.4 1.0 CE2 A:PHE59 4.8 8.9 1.0 CA A:ASP122 4.9 7.4 1.0 N A:ASP122 5.0 7.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hemerythrin:Wild-Type


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 Hemerythrin:Wild-Type within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:8.0 occ:1.00 O A:HOH401 2.0 10.4 1.0 NE2 A:HIS22 2.1 7.1 1.0 OD2 A:ASP122 2.1 7.9 1.0 NE2 A:HIS58 2.2 7.8 1.0 OE2 A:GLU62 2.2 7.3 1.0 O A:HOH400 2.5 4.7 1.0 CE1 A:HIS58 3.0 7.7 1.0 CG A:ASP122 3.1 7.1 1.0 CE1 A:HIS22 3.1 7.3 1.0 CD2 A:HIS22 3.1 7.2 1.0 CD A:GLU62 3.1 7.1 1.0 CD2 A:HIS58 3.2 7.1 1.0 OD1 A:ASP122 3.4 7.2 1.0 FE A:FE2201 3.5 7.0 1.0 OE1 A:GLU62 3.5 8.0 1.0 ND1 A:HIS58 4.2 7.5 1.0 CD2 A:HIS117 4.2 7.6 1.0 ND1 A:HIS22 4.2 7.5 1.0 OH A:TYR125 4.3 8.2 1.0 CG A:HIS22 4.3 7.1 1.0 CB A:ASP122 4.3 7.4 1.0 CG A:GLU62 4.3 8.0 1.0 CG A:HIS58 4.4 7.4 1.0 CG1 A:ILE118 4.4 8.2 1.0 NE2 A:HIS117 4.5 7.4 1.0 NE2 A:HIS81 4.9 7.5 1.0

K.H.Chen, P.Chuankhayan, H.H.Wu, C.J.Chen, M.Fukuda, S.S.Yu, S.I.Chan. The Bacteriohemerythrin From Methylococcus Capsulatus (Bath): Crystal Structures Reveal That LEU114 Regulates A Water Tunnel J.Inorg.Biochem. 2015.
ISSN: ISSN 0162-0134
PubMed: 25890483
DOI: 10.1016/J.JINORGBIO.2015.04.001