Iron in PDB 6otx: Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0

The structure of Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0, PDB code: 6otx was solved by D.Marchany-Rivera, C.A.Smith, J.D.Rodriguez-Perez, J.Lopez-Garriga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.56 / 2.54
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.736, 74.736, 152.571, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24.9

The binding sites of Iron atom in the Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0 (pdb code 6otx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0, PDB code: 6otx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:75.6 occ:1.00 FE A:HEM500 0.0 75.6 1.0 O1 A:OXY501 1.9 0.3 1.0 ND A:HEM500 2.0 70.6 1.0 NB A:HEM500 2.0 70.1 1.0 NA A:HEM500 2.1 69.0 1.0 NC A:HEM500 2.1 70.1 1.0 NE2 A:HIS97 2.4 85.6 1.0 O2 A:OXY501 2.8 0.4 1.0 C4D A:HEM500 3.0 66.1 1.0 C1D A:HEM500 3.0 76.6 1.0 C4B A:HEM500 3.1 68.5 1.0 C1A A:HEM500 3.1 62.2 1.0 C1B A:HEM500 3.1 74.3 1.0 C4C A:HEM500 3.1 74.1 1.0 C4A A:HEM500 3.1 71.5 1.0 C1C A:HEM500 3.1 66.0 1.0 CD2 A:HIS97 3.3 81.9 1.0 CE1 A:HIS97 3.4 83.7 1.0 CHA A:HEM500 3.4 59.4 1.0 CHD A:HEM500 3.4 75.6 1.0 CHC A:HEM500 3.4 64.9 1.0 CHB A:HEM500 3.5 74.0 1.0 C2D A:HEM500 4.2 76.5 1.0 C3D A:HEM500 4.3 75.0 1.0 C3B A:HEM500 4.3 75.4 1.0 C2B A:HEM500 4.3 71.0 1.0 C2A A:HEM500 4.3 63.7 1.0 C3A A:HEM500 4.3 63.3 1.0 C3C A:HEM500 4.3 78.6 1.0 C2C A:HEM500 4.4 71.7 1.0 CG A:HIS97 4.5 83.8 1.0 ND1 A:HIS97 4.5 87.0 1.0 CZ A:PHE44 4.6 68.3 1.0 NE2 A:GLN65 4.6 74.8 1.0 OH A:TYR30 4.6 81.9 1.0

Iron binding site 2 out of 2 in the Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:71.9 occ:1.00 FE B:HEM500 0.0 71.9 1.0 O1 B:OXY501 1.8 74.2 1.0 ND B:HEM500 2.0 78.5 1.0 NA B:HEM500 2.1 81.8 1.0 NC B:HEM500 2.1 80.9 1.0 NB B:HEM500 2.1 75.8 1.0 O2 B:OXY501 2.3 89.0 1.0 NE2 B:HIS98 2.3 79.1 1.0 C1D B:HEM500 3.0 72.2 1.0 C4C B:HEM500 3.1 70.9 1.0 C4D B:HEM500 3.1 80.9 1.0 C4A B:HEM500 3.1 77.2 1.0 C1B B:HEM500 3.1 74.5 1.0 C1A B:HEM500 3.1 81.6 1.0 CD2 B:HIS98 3.1 80.9 1.0 C1C B:HEM500 3.1 79.3 1.0 C4B B:HEM500 3.1 78.3 1.0 CHD B:HEM500 3.4 63.8 1.0 CE1 B:HIS98 3.4 78.2 1.0 CHB B:HEM500 3.4 74.2 1.0 CHA B:HEM500 3.5 84.3 1.0 CHC B:HEM500 3.5 79.6 1.0 OH B:TYR31 4.0 63.7 1.0 C2D B:HEM500 4.3 77.2 1.0 NE2 B:GLN66 4.3 57.8 1.0 C3D B:HEM500 4.3 78.4 1.0 C3A B:HEM500 4.3 72.0 1.0 C3C B:HEM500 4.3 78.0 1.0 C2A B:HEM500 4.3 75.2 1.0 C2B B:HEM500 4.3 73.5 1.0 C2C B:HEM500 4.3 76.4 1.0 C3B B:HEM500 4.3 75.5 1.0 CG B:HIS98 4.3 77.3 1.0 ND1 B:HIS98 4.4 75.6 1.0 CZ B:PHE45 4.6 68.1 1.0 NH1 B:ARG101 4.9 64.1 1.0

D.Marchany-Rivera, C.A.Smith, J.D.Rodriguez-Perez, J.Lopez-Garriga. Lucina Pectinata Oxyhemoglobin (II-III) Heterodimer pH Susceptibility J.Inorg.Biochem. V. 207 2020.
ISSN: ISSN 0162-0134
DOI: 10.1016/J.JINORGBIO.2020.111055