Iron in PDB 3pi1: Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 9.0

The structure of Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 9.0, PDB code: 3pi1 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)	19.51 / 2.00
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.923, 75.923, 153.134, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 23.1

The binding sites of Iron atom in the Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 9.0 (pdb code 3pi1). 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 9.0, PDB code: 3pi1:
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 9.0


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 9.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:29.3 occ:1.00 FE A:HEM500 0.0 29.3 1.0 O2 A:OXY501 1.8 31.9 1.0 NC A:HEM500 2.0 33.8 1.0 NB A:HEM500 2.0 21.4 1.0 NA A:HEM500 2.1 22.5 1.0 ND A:HEM500 2.1 24.7 1.0 NE2 A:HIS97 2.2 33.4 1.0 O1 A:OXY501 2.4 45.8 1.0 C4C A:HEM500 3.0 29.4 1.0 C4B A:HEM500 3.0 30.4 1.0 C1C A:HEM500 3.1 31.8 1.0 C1B A:HEM500 3.1 29.3 1.0 C1D A:HEM500 3.1 30.3 1.0 C4A A:HEM500 3.1 26.6 1.0 CD2 A:HIS97 3.1 27.7 1.0 C1A A:HEM500 3.1 30.9 1.0 C4D A:HEM500 3.1 28.8 1.0 CE1 A:HIS97 3.2 28.8 1.0 CHD A:HEM500 3.4 31.0 1.0 CHC A:HEM500 3.4 35.5 1.0 CHB A:HEM500 3.5 26.6 1.0 CHA A:HEM500 3.5 27.7 1.0 C3B A:HEM500 4.2 34.6 1.0 C3C A:HEM500 4.3 35.1 1.0 C2B A:HEM500 4.3 27.6 1.0 C2C A:HEM500 4.3 30.7 1.0 CG A:HIS97 4.3 28.1 1.0 ND1 A:HIS97 4.3 28.0 1.0 C3A A:HEM500 4.3 24.6 1.0 C2D A:HEM500 4.3 27.5 1.0 C2A A:HEM500 4.4 24.9 1.0 C3D A:HEM500 4.4 29.0 1.0 OH A:TYR30 4.4 27.7 1.0 NE2 A:GLN65 4.5 24.8 1.0 CZ A:PHE44 4.8 28.1 1.0 NH1 A:ARG100 5.0 29.9 1.0

Iron binding site 2 out of 2 in the Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 9.0


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 9.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:29.4 occ:1.00 FE B:HEM500 0.0 29.4 1.0 O2 B:OXY501 1.8 25.8 1.0 NA B:HEM500 2.0 24.1 1.0 ND B:HEM500 2.0 26.6 1.0 NC B:HEM500 2.1 26.9 1.0 NB B:HEM500 2.1 20.8 1.0 NE2 B:HIS97 2.1 30.1 1.0 O1 B:OXY501 2.5 39.7 1.0 C4C B:HEM500 3.0 28.9 1.0 C1D B:HEM500 3.0 30.8 1.0 C1A B:HEM500 3.0 28.4 1.0 C4A B:HEM500 3.1 25.0 1.0 C4D B:HEM500 3.1 28.9 1.0 CE1 B:HIS97 3.1 26.6 1.0 C1B B:HEM500 3.1 30.0 1.0 C1C B:HEM500 3.1 29.7 1.0 C4B B:HEM500 3.2 29.1 1.0 CD2 B:HIS97 3.2 29.1 1.0 CHD B:HEM500 3.3 23.2 1.0 CHA B:HEM500 3.4 25.8 1.0 CHB B:HEM500 3.4 29.2 1.0 CHC B:HEM500 3.6 28.6 1.0 ND1 B:HIS97 4.2 26.9 1.0 OH B:TYR30 4.2 29.6 1.0 C3C B:HEM500 4.3 28.1 1.0 C3A B:HEM500 4.3 30.2 1.0 C2D B:HEM500 4.3 27.3 1.0 C2A B:HEM500 4.3 26.1 1.0 C3D B:HEM500 4.3 23.8 1.0 CG B:HIS97 4.3 31.9 1.0 C2C B:HEM500 4.3 30.3 1.0 C2B B:HEM500 4.4 25.2 1.0 C3B B:HEM500 4.4 24.8 1.0 NE2 B:GLN65 4.4 26.6 1.0 CZ B:PHE44 4.8 28.8 1.0 NH1 B:ARG100 5.0 24.8 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.