Iron in PDB 3pt8: Structure of Hbii-III-Cn From Lucina Pectinata at pH 5.0

The structure of Structure of Hbii-III-Cn From Lucina Pectinata at pH 5.0, PDB code: 3pt8 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)	19.98 / 1.76
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.231, 74.231, 152.302, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22.6

The binding sites of Iron atom in the Structure of Hbii-III-Cn From Lucina Pectinata at pH 5.0 (pdb code 3pt8). 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-Cn From Lucina Pectinata at pH 5.0, PDB code: 3pt8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Hbii-III-Cn 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-Cn From Lucina Pectinata at pH 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:22.6 occ:1.00 FE A:HEM500 0.0 22.6 1.0 C A:CYN501 1.9 23.5 1.0 NA A:HEM500 2.0 21.3 1.0 NC A:HEM500 2.1 23.1 1.0 NB A:HEM500 2.1 24.2 1.0 ND A:HEM500 2.1 19.6 1.0 NE2 A:HIS97 2.1 22.9 1.0 CE1 A:HIS97 3.0 21.3 1.0 C4A A:HEM500 3.1 21.8 1.0 C1A A:HEM500 3.1 20.6 1.0 C1B A:HEM500 3.1 29.0 1.0 N A:CYN501 3.1 24.3 1.0 C4C A:HEM500 3.1 25.6 1.0 C1D A:HEM500 3.1 25.4 1.0 C4D A:HEM500 3.1 20.7 1.0 C4B A:HEM500 3.1 25.9 1.0 C1C A:HEM500 3.1 23.1 1.0 CD2 A:HIS97 3.2 22.6 1.0 CHB A:HEM500 3.4 21.9 1.0 CHD A:HEM500 3.4 21.0 1.0 CHA A:HEM500 3.4 22.5 1.0 CHC A:HEM500 3.5 24.3 1.0 ND1 A:HIS97 4.2 23.9 1.0 CG A:HIS97 4.3 23.1 1.0 C2A A:HEM500 4.3 21.1 1.0 C3A A:HEM500 4.3 21.4 1.0 C2B A:HEM500 4.3 26.0 1.0 C3C A:HEM500 4.3 24.4 1.0 C3B A:HEM500 4.3 32.5 1.0 C2C A:HEM500 4.3 24.5 1.0 C2D A:HEM500 4.3 25.8 1.0 C3D A:HEM500 4.3 22.6 1.0 NE2 A:GLN65 4.5 23.4 1.0 CZ A:PHE44 4.8 24.8 1.0 NH1 A:ARG100 4.9 24.1 1.0

Iron binding site 2 out of 2 in the Structure of Hbii-III-Cn 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-Cn From Lucina Pectinata at pH 5.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:21.7 occ:1.00 FE B:HEM500 0.0 21.7 1.0 C B:CYN501 2.0 23.5 1.0 NA B:HEM500 2.0 18.3 1.0 ND B:HEM500 2.1 21.5 1.0 NB B:HEM500 2.1 21.9 1.0 NC B:HEM500 2.1 21.5 1.0 NE2 B:HIS98 2.1 19.8 1.0 CE1 B:HIS98 3.0 19.8 1.0 C1A B:HEM500 3.0 20.3 1.0 C4A B:HEM500 3.0 21.8 1.0 C1D B:HEM500 3.1 21.4 1.0 C4C B:HEM500 3.1 23.2 1.0 C1B B:HEM500 3.1 21.4 1.0 C4D B:HEM500 3.1 20.2 1.0 CD2 B:HIS98 3.1 21.3 1.0 N B:CYN501 3.1 22.1 1.0 C4B B:HEM500 3.1 21.2 1.0 C1C B:HEM500 3.1 20.4 1.0 CHD B:HEM500 3.4 21.8 1.0 CHB B:HEM500 3.4 21.4 1.0 CHA B:HEM500 3.4 21.9 1.0 CHC B:HEM500 3.5 21.3 1.0 ND1 B:HIS98 4.1 21.4 1.0 CG B:HIS98 4.2 24.4 1.0 C3A B:HEM500 4.3 21.8 1.0 C2A B:HEM500 4.3 18.6 1.0 C2B B:HEM500 4.3 22.6 1.0 C2D B:HEM500 4.3 23.9 1.0 C3C B:HEM500 4.3 24.3 1.0 C3B B:HEM500 4.3 25.0 1.0 C3D B:HEM500 4.3 19.6 1.0 C2C B:HEM500 4.3 21.1 1.0 NE2 B:GLN66 4.5 20.2 1.0 CZ B:PHE45 4.8 21.3 1.0 CE B:MET94 4.8 24.7 0.3

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.