Iron in PDB 6iyi: X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin

The structure of X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin, PDB code: 6iyi was solved by A.Seyedarabi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.53 / 2.20
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.980, 61.410, 102.366, 90.00, 97.75, 90.00
R / Rfree (%)	13.8 / 19.5

The binding sites of Iron atom in the X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin (pdb code 6iyi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin, PDB code: 6iyi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.2 occ:1.00 FE A:HEM201 0.0 12.2 1.0 ND A:HEM201 1.9 13.8 1.0 NA A:HEM201 2.1 14.2 1.0 NC A:HEM201 2.1 12.5 1.0 O A:HOH342 2.1 5.6 1.0 NB A:HEM201 2.1 13.3 1.0 NE2 A:HIS89 2.2 13.0 1.0 C1D A:HEM201 2.9 13.3 1.0 C4D A:HEM201 3.0 14.4 1.0 C4C A:HEM201 3.0 12.9 1.0 C4B A:HEM201 3.1 12.3 1.0 C4A A:HEM201 3.1 15.1 1.0 C1C A:HEM201 3.1 11.5 1.0 C1B A:HEM201 3.1 13.0 1.0 C1A A:HEM201 3.1 15.2 1.0 CD2 A:HIS89 3.2 13.2 1.0 CE1 A:HIS89 3.2 13.9 1.0 CHD A:HEM201 3.4 12.9 1.0 CHC A:HEM201 3.4 11.6 1.0 CHA A:HEM201 3.4 14.6 1.0 CHB A:HEM201 3.5 14.2 1.0 NE2 A:HIS60 4.1 15.5 1.0 C3D A:HEM201 4.2 14.2 1.0 C2D A:HEM201 4.2 13.5 1.0 C2C A:HEM201 4.3 10.9 1.0 C3C A:HEM201 4.3 11.2 1.0 C3A A:HEM201 4.3 16.5 1.0 C2A A:HEM201 4.3 18.3 1.0 C2B A:HEM201 4.3 12.5 1.0 CG A:HIS89 4.3 13.2 1.0 ND1 A:HIS89 4.3 13.2 1.0 C3B A:HEM201 4.4 12.4 1.0 CE1 A:HIS60 4.6 16.1 1.0 CD1 A:LEU93 5.0 16.9 1.0

Iron binding site 2 out of 2 in the X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Sequence and High Resolution Crystal Structure of Starry Sturgeon Methemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:14.6 occ:1.00 FE B:HEM201 0.0 14.6 1.0 ND B:HEM201 1.9 15.8 1.0 NA B:HEM201 2.0 15.8 1.0 O B:HOH319 2.1 9.1 1.0 NB B:HEM201 2.1 13.9 1.0 NC B:HEM201 2.1 14.7 1.0 NE2 B:HIS92 2.2 20.6 1.0 C1D B:HEM201 2.9 17.2 1.0 C4D B:HEM201 2.9 18.2 1.0 C4A B:HEM201 3.0 16.6 1.0 C1A B:HEM201 3.0 16.8 1.0 C1B B:HEM201 3.1 14.7 1.0 C4C B:HEM201 3.1 15.2 1.0 C4B B:HEM201 3.1 14.0 1.0 C1C B:HEM201 3.1 13.9 1.0 CE1 B:HIS92 3.2 21.6 1.0 CD2 B:HIS92 3.3 20.7 1.0 CHD B:HEM201 3.4 16.6 1.0 CHB B:HEM201 3.4 16.0 1.0 CHA B:HEM201 3.4 17.4 1.0 CHC B:HEM201 3.5 13.5 1.0 NE2 B:HIS63 4.2 14.9 1.0 C2D B:HEM201 4.2 17.6 1.0 C3D B:HEM201 4.2 18.1 1.0 C3A B:HEM201 4.2 18.7 1.0 C2A B:HEM201 4.2 19.7 1.0 C2B B:HEM201 4.3 14.1 1.0 ND1 B:HIS92 4.3 21.5 1.0 C3C B:HEM201 4.3 16.2 1.0 C3B B:HEM201 4.3 15.2 1.0 C2C B:HEM201 4.4 15.3 1.0 CG B:HIS92 4.4 19.6 1.0 CE1 B:HIS63 4.7 13.7 1.0 CG2 B:VAL67 4.8 10.7 1.0

A.Seyedarabi, S.Ariaeenejad, A.A.Moosavi-Movahedi, S.Rayati, N.Poursasan, N.Asiaie, Z.Seraj, F.Mehraban, S.E.Seyedarabi. Novel X-Ray Sequences and Crystal Structures of Persian and Starry Sturgeon Methemoglobins: Highlighting the Role of Heme Pocket Waters in Causing Autoxidation. Biochim Biophys Acta V.1867 586 2019PROTEINS Proteom.
ISSN: ISSN 1878-1454
PubMed: 30904680
DOI: 10.1016/J.BBAPAP.2019.03.008