Iron in PDB 3pt7: Structure of Hbii-III-Oxy From Lucina Pectinata at pH 5.0

The structure of Structure of Hbii-III-Oxy From Lucina Pectinata at pH 5.0, PDB code: 3pt7 was solved by J.A.Gavira, C.R.Ruiz-Martinez, C.A.Nieves-Marrero, 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)	19.94 / 2.15
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.073, 74.073, 152.069, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.5

The binding sites of Iron atom in the Structure of Hbii-III-Oxy From Lucina Pectinata at pH 5.0 (pdb code 3pt7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Hbii-III-Oxy From Lucina Pectinata at pH 5.0, PDB code: 3pt7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Hbii-III-Oxy 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 Structure of Hbii-III-Oxy From Lucina Pectinata at pH 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:38.3 occ:1.00 FE A:HEM500 0.0 38.3 1.0 NA A:HEM500 2.0 33.5 1.0 ND A:HEM500 2.1 36.3 1.0 NC A:HEM500 2.1 39.2 1.0 NB A:HEM500 2.1 44.4 1.0 O2 A:OXY501 2.1 47.2 1.0 NE2 A:HIS97 2.2 44.4 1.0 O1 A:OXY501 2.9 56.8 1.0 C1A A:HEM500 3.1 41.0 1.0 C1D A:HEM500 3.1 40.6 1.0 C4C A:HEM500 3.1 45.9 1.0 C4A A:HEM500 3.1 41.6 1.0 C4D A:HEM500 3.1 33.8 1.0 C1B A:HEM500 3.1 39.0 1.0 C4B A:HEM500 3.1 39.1 1.0 CE1 A:HIS97 3.1 40.4 1.0 C1C A:HEM500 3.1 46.7 1.0 CD2 A:HIS97 3.2 37.5 1.0 CHD A:HEM500 3.4 28.7 1.0 CHA A:HEM500 3.4 36.7 1.0 CHB A:HEM500 3.4 36.1 1.0 CHC A:HEM500 3.5 50.7 1.0 ND1 A:HIS97 4.2 36.2 1.0 C2A A:HEM500 4.3 31.5 1.0 C3A A:HEM500 4.3 36.4 1.0 CG A:HIS97 4.3 38.1 1.0 C2D A:HEM500 4.3 43.6 1.0 C3C A:HEM500 4.3 48.3 1.0 C3D A:HEM500 4.3 33.7 1.0 C2B A:HEM500 4.3 38.5 1.0 C3B A:HEM500 4.3 55.5 1.0 C2C A:HEM500 4.3 46.4 1.0 NE2 A:GLN65 4.5 36.5 1.0 CZ A:PHE44 4.8 44.0 1.0 OH A:TYR30 4.9 43.1 1.0 NH1 A:ARG100 4.9 37.1 1.0

Iron binding site 2 out of 2 in the Structure of Hbii-III-Oxy 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 Structure of Hbii-III-Oxy From Lucina Pectinata at pH 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:35.6 occ:1.00 FE B:HEM500 0.0 35.6 1.0 O2 B:OXY501 1.8 47.7 1.0 NB B:HEM500 2.0 36.1 1.0 NC B:HEM500 2.1 38.5 1.0 NA B:HEM500 2.1 32.7 1.0 ND B:HEM500 2.2 38.5 1.0 NE2 B:HIS98 2.2 36.7 1.0 O1 B:OXY501 2.7 47.1 1.0 C1B B:HEM500 3.0 35.7 1.0 C4A B:HEM500 3.0 37.5 1.0 C4C B:HEM500 3.1 35.7 1.0 CD2 B:HIS98 3.1 35.7 1.0 C4B B:HEM500 3.1 34.1 1.0 C1C B:HEM500 3.1 40.6 1.0 C1D B:HEM500 3.1 30.8 1.0 C1A B:HEM500 3.1 40.1 1.0 C4D B:HEM500 3.2 34.1 1.0 CE1 B:HIS98 3.2 43.8 1.0 CHB B:HEM500 3.4 37.2 1.0 CHD B:HEM500 3.4 27.9 1.0 CHC B:HEM500 3.5 42.8 1.0 CHA B:HEM500 3.5 36.4 1.0 CG B:HIS98 4.3 43.7 1.0 C2B B:HEM500 4.3 36.7 1.0 C3A B:HEM500 4.3 40.1 1.0 C3C B:HEM500 4.3 42.0 1.0 C3B B:HEM500 4.3 43.7 1.0 ND1 B:HIS98 4.3 33.0 1.0 C2C B:HEM500 4.3 41.4 1.0 C2A B:HEM500 4.3 34.4 1.0 C2D B:HEM500 4.4 45.0 1.0 OH B:TYR31 4.4 28.9 1.0 NE2 B:GLN66 4.4 36.2 1.0 C3D B:HEM500 4.4 32.9 1.0 CZ B:PHE45 4.6 35.0 1.0 NH1 B:ARG101 5.0 32.5 1.0

C.R.Ruiz-Martinez, C.A.Nieves-Marrero, R.A.Estremera-Andujar, J.Lopez-Garriga, J.M.Garcia-Ruiz, J.A.Gavira. New Crystallographic Structure of Hbii-III-Oxy and Cn Forms From Lucina Pectinata. To Be Published.