Iron in PDB 3pi2: Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 8.0

The structure of Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 8.0, PDB code: 3pi2 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 / 1.85
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.706, 74.706, 152.646, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.4

The binding sites of Iron atom in the Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 8.0 (pdb code 3pi2). 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 8.0, PDB code: 3pi2:
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 8.0


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 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:25.2 occ:1.00 FE A:HEM500 0.0 25.2 1.0 O2 A:OXY501 1.8 32.4 1.0 NB A:HEM500 1.9 20.1 1.0 ND A:HEM500 2.0 19.5 1.0 NC A:HEM500 2.1 22.3 1.0 NA A:HEM500 2.1 21.1 1.0 NE2 A:HIS97 2.2 26.6 1.0 O1 A:OXY501 2.6 35.4 1.0 C4C A:HEM500 3.0 27.5 1.0 C1B A:HEM500 3.0 27.8 1.0 C1D A:HEM500 3.0 25.6 1.0 C4A A:HEM500 3.0 22.3 1.0 C4B A:HEM500 3.1 27.9 1.0 C4D A:HEM500 3.1 24.7 1.0 CD2 A:HIS97 3.2 28.4 1.0 CE1 A:HIS97 3.2 25.7 1.0 C1A A:HEM500 3.2 23.2 1.0 C1C A:HEM500 3.2 28.9 1.0 CHD A:HEM500 3.3 25.4 1.0 CHB A:HEM500 3.4 21.7 1.0 CHC A:HEM500 3.6 25.8 1.0 CHA A:HEM500 3.6 23.5 1.0 C3B A:HEM500 4.2 30.5 1.0 C2B A:HEM500 4.2 23.6 1.0 C3C A:HEM500 4.2 27.4 1.0 C2D A:HEM500 4.3 23.6 1.0 ND1 A:HIS97 4.3 25.1 1.0 C3A A:HEM500 4.3 21.0 1.0 CG A:HIS97 4.3 24.2 1.0 C3D A:HEM500 4.4 21.1 1.0 C2C A:HEM500 4.4 25.0 1.0 C2A A:HEM500 4.4 19.3 1.0 NE2 A:GLN65 4.4 25.8 1.0 OH A:TYR30 4.5 24.3 1.0 CZ A:PHE44 4.6 27.1 1.0 NH1 A:ARG100 4.9 24.7 1.0

Iron binding site 2 out of 2 in the Crystallographic Structure of Hbii-Oxy From Lucina Pectinata at pH 8.0


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 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:25.5 occ:1.00 FE B:HEM201 0.0 25.5 1.0 O2 B:OXY202 1.9 24.7 1.0 ND B:HEM201 2.0 21.1 1.0 NA B:HEM201 2.0 22.7 1.0 NB B:HEM201 2.0 19.8 1.0 NC B:HEM201 2.1 24.9 1.0 NE2 B:HIS97 2.1 20.5 1.0 O1 B:OXY202 2.6 38.0 1.0 C1D B:HEM201 2.9 25.7 1.0 C1B B:HEM201 3.0 22.7 1.0 C4C B:HEM201 3.0 25.0 1.0 C4D B:HEM201 3.1 23.4 1.0 C4A B:HEM201 3.1 23.9 1.0 C4B B:HEM201 3.1 20.9 1.0 C1A B:HEM201 3.1 18.1 1.0 CE1 B:HIS97 3.1 23.7 1.0 CD2 B:HIS97 3.1 25.9 1.0 C1C B:HEM201 3.1 22.3 1.0 CHD B:HEM201 3.3 25.6 1.0 CHB B:HEM201 3.4 25.1 1.0 CHA B:HEM201 3.5 23.5 1.0 CHC B:HEM201 3.5 23.6 1.0 C2D B:HEM201 4.2 24.5 1.0 C3D B:HEM201 4.2 22.0 1.0 OH B:TYR30 4.2 27.3 1.0 ND1 B:HIS97 4.3 23.5 1.0 NE2 B:GLN65 4.3 21.9 1.0 C2B B:HEM201 4.3 22.5 1.0 C3C B:HEM201 4.3 28.2 1.0 C3B B:HEM201 4.3 25.5 1.0 C3A B:HEM201 4.3 22.7 1.0 CG B:HIS97 4.3 25.3 1.0 C2A B:HEM201 4.4 20.1 1.0 C2C B:HEM201 4.4 22.4 1.0 CZ B:PHE44 4.7 24.9 1.0 NH1 B:ARG100 4.9 23.1 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.