Iron in PDB 2at5: 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6

The structure of 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6, PDB code: 2at5 was solved by A.M.Amoia, W.R.Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.38 / 1.22
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.210, 42.666, 53.005, 90.00, 94.27, 90.00
R / Rfree (%)	11.8 / 14.8

The binding sites of Iron atom in the 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6 (pdb code 2at5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6, PDB code: 2at5:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe185 b:7.3 occ:0.50 FE X:FDE185 0.0 7.3 0.5 FE X:FDE185 0.0 7.3 0.5 N X:NO186 1.8 10.2 1.0 NB X:FDE185 2.0 7.6 0.5 NC X:FDE185 2.0 7.6 0.5 ND X:FDE185 2.0 5.9 0.5 NA X:FDE185 2.0 5.9 0.5 NB X:FDE185 2.0 9.0 0.5 NC X:FDE185 2.0 9.0 0.5 ND X:FDE185 2.0 7.8 0.5 NA X:FDE185 2.0 7.8 0.5 NE2 X:HIS59 2.1 6.3 1.0 O X:NO186 2.8 14.2 1.0 C4C X:FDE185 3.0 7.5 0.5 C1B X:FDE185 3.0 7.5 0.5 C4B X:FDE185 3.0 10.4 0.5 C1C X:FDE185 3.0 10.4 0.5 C4B X:FDE185 3.0 9.4 0.5 C1C X:FDE185 3.0 9.4 0.5 C4D X:FDE185 3.0 6.5 0.5 C1A X:FDE185 3.0 6.5 0.5 C4A X:FDE185 3.0 5.6 0.5 C1D X:FDE185 3.0 5.6 0.5 C4C X:FDE185 3.0 9.3 0.5 C1B X:FDE185 3.0 9.3 0.5 C4A X:FDE185 3.1 8.9 0.5 C1D X:FDE185 3.1 8.9 0.5 CE1 X:HIS59 3.1 5.0 1.0 C4D X:FDE185 3.1 8.6 0.5 C1A X:FDE185 3.1 8.6 0.5 CD2 X:HIS59 3.1 6.0 1.0 CHD X:FDE185 3.4 7.1 0.5 CHB X:FDE185 3.4 7.1 0.5 CHC X:FDE185 3.4 9.8 0.5 CHC X:FDE185 3.4 9.8 0.5 CHA X:FDE185 3.4 7.5 0.5 CHA X:FDE185 3.4 7.5 0.5 CHD X:FDE185 3.4 10.0 0.5 CHB X:FDE185 3.4 10.0 0.5 C3C X:FDE185 4.2 9.3 0.5 C2B X:FDE185 4.2 9.3 0.5 C3B X:FDE185 4.2 10.2 0.5 C2C X:FDE185 4.2 10.2 0.5 ND1 X:HIS59 4.2 4.9 1.0 CG X:HIS59 4.2 4.8 1.0 C3B X:FDE185 4.2 9.8 0.5 C2C X:FDE185 4.2 9.8 0.5 C3C X:FDE185 4.2 11.5 0.5 C2B X:FDE185 4.2 11.5 0.5 C2D X:FDE185 4.3 6.1 0.5 C3A X:FDE185 4.3 6.1 0.5 C2A X:FDE185 4.3 6.3 0.5 C3D X:FDE185 4.3 6.3 0.5 C2D X:FDE185 4.3 10.5 0.5 C3A X:FDE185 4.3 10.5 0.5 C2A X:FDE185 4.3 9.3 0.5 C3D X:FDE185 4.3 9.3 0.5 CD2 X:LEU133 4.5 10.2 1.0 CD2 X:LEU130 4.7 11.8 0.7

Iron binding site 2 out of 2 in the 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Nitric Oxide at pH 5.6 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe185 b:7.3 occ:0.50 FE X:FDE185 0.0 7.3 0.5 FE X:FDE185 0.0 7.3 0.5 N X:NO186 1.8 10.2 1.0 NB X:FDE185 2.0 7.6 0.5 NC X:FDE185 2.0 7.6 0.5 ND X:FDE185 2.0 5.9 0.5 NA X:FDE185 2.0 5.9 0.5 NB X:FDE185 2.0 9.0 0.5 NC X:FDE185 2.0 9.0 0.5 ND X:FDE185 2.0 7.8 0.5 NA X:FDE185 2.0 7.8 0.5 NE2 X:HIS59 2.1 6.3 1.0 O X:NO186 2.8 14.2 1.0 C4C X:FDE185 3.0 7.5 0.5 C1B X:FDE185 3.0 7.5 0.5 C4B X:FDE185 3.0 10.4 0.5 C1C X:FDE185 3.0 10.4 0.5 C4B X:FDE185 3.0 9.4 0.5 C1C X:FDE185 3.0 9.4 0.5 C4D X:FDE185 3.0 6.5 0.5 C1A X:FDE185 3.0 6.5 0.5 C4A X:FDE185 3.0 5.6 0.5 C1D X:FDE185 3.0 5.6 0.5 C4C X:FDE185 3.0 9.3 0.5 C1B X:FDE185 3.0 9.3 0.5 C4A X:FDE185 3.1 8.9 0.5 C1D X:FDE185 3.1 8.9 0.5 CE1 X:HIS59 3.1 5.0 1.0 C4D X:FDE185 3.1 8.6 0.5 C1A X:FDE185 3.1 8.6 0.5 CD2 X:HIS59 3.1 6.0 1.0 CHD X:FDE185 3.4 7.1 0.5 CHB X:FDE185 3.4 7.1 0.5 CHC X:FDE185 3.4 9.8 0.5 CHC X:FDE185 3.4 9.8 0.5 CHA X:FDE185 3.4 7.5 0.5 CHA X:FDE185 3.4 7.5 0.5 CHD X:FDE185 3.4 10.0 0.5 CHB X:FDE185 3.4 10.0 0.5 C3C X:FDE185 4.2 9.3 0.5 C2B X:FDE185 4.2 9.3 0.5 C3B X:FDE185 4.2 10.2 0.5 C2C X:FDE185 4.2 10.2 0.5 ND1 X:HIS59 4.2 4.9 1.0 CG X:HIS59 4.2 4.8 1.0 C3B X:FDE185 4.2 9.8 0.5 C2C X:FDE185 4.2 9.8 0.5 C3C X:FDE185 4.2 11.5 0.5 C2B X:FDE185 4.2 11.5 0.5 C2D X:FDE185 4.3 6.1 0.5 C3A X:FDE185 4.3 6.1 0.5 C2A X:FDE185 4.3 6.3 0.5 C3D X:FDE185 4.3 6.3 0.5 C2D X:FDE185 4.3 10.5 0.5 C3A X:FDE185 4.3 10.5 0.5 C2A X:FDE185 4.3 9.3 0.5 C3D X:FDE185 4.3 9.3 0.5 CD2 X:LEU133 4.5 10.2 1.0 CD2 X:LEU130 4.7 11.8 0.7

A.M.Amoia, W.R.Montfort. Heme Distortion in Nitrophorin 4: High Resolution Structures of Mutated Positions L123V and L133V and Heme Altered Proteins To Be Published.