Iron in PDB 3pi4: Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 4.0

The structure of Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 4.0, PDB code: 3pi4 was solved by J.A.Gavira, C.A.Nieves-Marrero, C.R.Ruiz-Martinez, R.A.Estremera-Andujar, J.Lopez-Garriga, J.M.Garcia-Ruiz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.17
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.237, 72.237, 146.288, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 28.7

The binding sites of Iron atom in the Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 4.0 (pdb code 3pi4). 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-Oxy From Lucina Pectinata at pH 4.0, PDB code: 3pi4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 4.0


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-Oxy From Lucina Pectinata at pH 4.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:68.2 occ:1.00 FE A:HEM500 0.0 68.2 1.0 NE2 A:HIS97 2.0 63.9 1.0 NC A:HEM500 2.0 69.2 1.0 NB A:HEM500 2.0 69.1 1.0 NA A:HEM500 2.1 70.3 1.0 ND A:HEM500 2.1 70.1 1.0 O A:HOH501 2.2 55.0 1.0 CD2 A:HIS97 2.9 64.1 1.0 C1C A:HEM500 2.9 68.5 1.0 C4B A:HEM500 2.9 68.9 1.0 C1A A:HEM500 3.0 71.2 1.0 CE1 A:HIS97 3.0 63.7 1.0 C4A A:HEM500 3.1 71.0 1.0 C4D A:HEM500 3.1 71.3 1.0 C4C A:HEM500 3.1 70.0 1.0 C1B A:HEM500 3.1 69.4 1.0 C1D A:HEM500 3.2 70.5 1.0 CHC A:HEM500 3.3 67.7 1.0 CHA A:HEM500 3.3 70.9 1.0 CHB A:HEM500 3.5 70.3 1.0 CHD A:HEM500 3.6 69.9 1.0 CG A:HIS97 4.0 64.9 1.0 ND1 A:HIS97 4.1 64.0 1.0 C2A A:HEM500 4.1 73.3 1.0 NE2 A:GLN65 4.2 51.8 1.0 C3A A:HEM500 4.2 72.7 1.0 C2C A:HEM500 4.2 69.5 1.0 C3B A:HEM500 4.2 69.4 1.0 C3C A:HEM500 4.3 70.7 1.0 C2B A:HEM500 4.3 69.0 1.0 C3D A:HEM500 4.3 72.7 1.0 C2D A:HEM500 4.4 71.4 1.0 OH A:TYR30 4.7 67.2 1.0 O2A A:HEM500 4.8 82.2 1.0

Iron binding site 2 out of 2 in the Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 4.0


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-Oxy From Lucina Pectinata at pH 4.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:79.0 occ:1.00 FE B:HEM500 0.0 79.0 1.0 NC B:HEM500 1.9 79.6 1.0 O B:HOH501 2.0 42.0 1.0 NA B:HEM500 2.0 81.1 1.0 NB B:HEM500 2.1 79.4 1.0 ND B:HEM500 2.1 80.9 1.0 NE2 B:HIS97 2.2 74.0 1.0 CE1 B:HIS97 2.8 74.6 1.0 C1A B:HEM500 2.9 82.7 1.0 C1C B:HEM500 2.9 79.8 1.0 C4C B:HEM500 3.0 80.3 1.0 C4B B:HEM500 3.0 79.4 1.0 C4A B:HEM500 3.0 81.7 1.0 C4D B:HEM500 3.0 82.2 1.0 C1B B:HEM500 3.2 79.3 1.0 C1D B:HEM500 3.2 81.2 1.0 CHA B:HEM500 3.2 82.5 1.0 CD2 B:HIS97 3.3 74.3 1.0 CHC B:HEM500 3.3 79.5 1.0 CHD B:HEM500 3.5 80.2 1.0 CHB B:HEM500 3.5 80.3 1.0 ND1 B:HIS97 4.0 74.4 1.0 C2A B:HEM500 4.0 84.5 1.0 NE2 B:GLN65 4.1 46.1 1.0 C2C B:HEM500 4.1 80.9 1.0 C3A B:HEM500 4.1 83.9 1.0 C3C B:HEM500 4.2 81.2 1.0 CG B:HIS97 4.2 74.3 1.0 C3B B:HEM500 4.3 79.4 1.0 OH B:TYR30 4.3 48.6 1.0 C3D B:HEM500 4.3 83.4 1.0 C2B B:HEM500 4.3 79.3 1.0 C2D B:HEM500 4.4 82.3 1.0

C.A.Nieves-Marrero, C.R.Ruiz-Martinez, R.A.Estremera-Andujar, J.Lopez-Garriga, J.M.Garcia-Ruiz, J.A.Gavira. pH-Dependence Crystallographic Studies of the Oxygen Carrier Hemoglobin II From Lucina Pectinata To Be Published.