Iron in PDB 6otw: Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 5.0

The structure of Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 5.0, PDB code: 6otw 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)	33.23 / 2.45
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.300, 74.300, 152.299, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 24.8

The binding sites of Iron atom in the Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 5.0 (pdb code 6otw). 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 5.0, PDB code: 6otw:
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 5.0


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 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:70.2 occ:1.00 FE A:HEM500 0.0 70.2 1.0 ND A:HEM500 2.0 64.0 1.0 NC A:HEM500 2.0 69.6 1.0 NA A:HEM500 2.0 64.9 1.0 NB A:HEM500 2.1 68.0 1.0 NE2 A:HIS97 2.4 76.7 1.0 O A:HOH602 2.5 66.6 1.0 C1A A:HEM500 3.0 57.0 1.0 C4D A:HEM500 3.0 60.8 1.0 C1C A:HEM500 3.0 63.3 1.0 C4B A:HEM500 3.1 63.7 1.0 C1D A:HEM500 3.1 69.6 1.0 C4C A:HEM500 3.1 70.8 1.0 C1B A:HEM500 3.1 62.6 1.0 C4A A:HEM500 3.2 59.7 1.0 CD2 A:HIS97 3.2 72.1 1.0 CHA A:HEM500 3.3 55.3 1.0 CHC A:HEM500 3.4 54.6 1.0 CHD A:HEM500 3.5 69.0 1.0 CE1 A:HIS97 3.5 77.8 1.0 CHB A:HEM500 3.6 56.7 1.0 C3D A:HEM500 4.2 68.5 1.0 C2A A:HEM500 4.2 52.7 1.0 C2D A:HEM500 4.3 70.9 1.0 C2C A:HEM500 4.3 71.2 1.0 NE2 A:GLN65 4.3 57.5 1.0 C3C A:HEM500 4.3 73.6 1.0 C3B A:HEM500 4.3 67.0 1.0 C3A A:HEM500 4.3 57.4 1.0 C2B A:HEM500 4.3 63.5 1.0 CG A:HIS97 4.4 73.5 1.0 CZ A:PHE44 4.5 63.1 1.0 ND1 A:HIS97 4.5 76.3 1.0 NH1 A:ARG100 4.8 62.6 1.0 OH A:TYR30 4.9 79.5 1.0

Iron binding site 2 out of 2 in the Crystallographic Structure of (Hbii-Hbiii)-O2 From Lucina Pectinata at pH 5.0


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 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:65.1 occ:1.00 FE B:HEM500 0.0 65.1 1.0 NC B:HEM500 1.9 74.5 1.0 NB B:HEM500 2.0 63.9 1.0 ND B:HEM500 2.1 69.2 1.0 NA B:HEM500 2.1 69.9 1.0 O B:HOH601 2.3 50.9 1.0 NE2 B:HIS98 2.4 65.5 1.0 C1C B:HEM500 2.8 74.6 1.0 C4B B:HEM500 2.9 67.5 1.0 C4C B:HEM500 3.0 72.1 1.0 C1B B:HEM500 3.0 64.7 1.0 CD2 B:HIS98 3.1 62.8 1.0 C1A B:HEM500 3.1 69.5 1.0 C4D B:HEM500 3.1 71.7 1.0 C4A B:HEM500 3.2 66.5 1.0 C1D B:HEM500 3.2 67.7 1.0 CHC B:HEM500 3.2 73.3 1.0 CHA B:HEM500 3.5 72.4 1.0 CE1 B:HIS98 3.5 67.2 1.0 CHB B:HEM500 3.5 65.7 1.0 CHD B:HEM500 3.5 66.1 1.0 C2C B:HEM500 4.1 72.3 1.0 C3B B:HEM500 4.2 63.2 1.0 C3C B:HEM500 4.2 71.1 1.0 C2B B:HEM500 4.2 68.4 1.0 NE2 B:GLN66 4.3 50.4 1.0 CG B:HIS98 4.3 67.9 1.0 OH B:TYR31 4.3 55.6 1.0 C2A B:HEM500 4.3 61.7 1.0 C3A B:HEM500 4.4 61.5 1.0 C3D B:HEM500 4.4 63.8 1.0 C2D B:HEM500 4.4 70.1 1.0 ND1 B:HIS98 4.5 67.5 1.0 CZ B:PHE45 4.6 55.3 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