Iron in PDB 3c77: 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5

The structure of 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5, PDB code: 3c77 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)	21.80 / 1.08
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.156, 42.745, 52.821, 90.00, 94.03, 90.00
R / Rfree (%)	13.7 / 16.2

The binding sites of Iron atom in the 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5 (pdb code 3c77). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5, PDB code: 3c77:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe185 b:9.1 occ:0.50 FE X:FDE185 0.0 9.1 0.5 FE X:FDE185 0.0 9.1 0.5 NC X:FDE185 2.0 9.8 0.5 NB X:FDE185 2.0 9.8 0.5 NA X:FDE185 2.0 8.3 0.5 ND X:FDE185 2.0 8.3 0.5 NE2 X:HIS59 2.0 8.3 1.0 N X:NH3700 2.0 11.2 0.5 NC X:FDE185 2.0 10.5 0.5 NB X:FDE185 2.0 10.5 0.5 NA X:FDE185 2.0 10.2 0.5 ND X:FDE185 2.0 10.2 0.5 CE1 X:HIS59 3.0 7.5 1.0 CD2 X:HIS59 3.0 8.9 1.0 C4C X:FDE185 3.0 9.5 0.5 C1B X:FDE185 3.0 9.5 0.5 C4B X:FDE185 3.0 12.1 0.5 C1C X:FDE185 3.0 12.1 0.5 C4B X:FDE185 3.0 11.2 0.5 C1C X:FDE185 3.0 11.2 0.5 C1D X:FDE185 3.0 8.3 0.5 C4A X:FDE185 3.0 8.3 0.5 C1A X:FDE185 3.0 8.5 0.5 C4D X:FDE185 3.0 8.5 0.5 C1A X:FDE185 3.0 10.7 0.5 C4D X:FDE185 3.0 10.7 0.5 C4C X:FDE185 3.0 11.6 0.5 C1B X:FDE185 3.0 11.6 0.5 C1D X:FDE185 3.0 12.4 0.5 C4A X:FDE185 3.0 12.4 0.5 CHC X:FDE185 3.4 11.6 0.5 CHC X:FDE185 3.4 11.6 0.5 CHB X:FDE185 3.4 9.6 0.5 CHD X:FDE185 3.4 9.6 0.5 CHA X:FDE185 3.4 10.2 0.5 CHA X:FDE185 3.4 10.2 0.5 CHB X:FDE185 3.4 11.1 0.5 CHD X:FDE185 3.4 11.1 0.5 ND1 X:HIS59 4.1 7.0 1.0 CG X:HIS59 4.1 7.4 1.0 O X:HOH777 4.2 24.2 1.0 C3B X:FDE185 4.2 11.6 0.5 C2C X:FDE185 4.2 11.6 0.5 C3C X:FDE185 4.2 10.7 0.5 C2B X:FDE185 4.2 10.7 0.5 C3A X:FDE185 4.2 8.3 0.5 C2D X:FDE185 4.2 8.3 0.5 C3C X:FDE185 4.2 12.6 0.5 C2B X:FDE185 4.2 12.6 0.5 C3B X:FDE185 4.2 11.5 0.5 C2C X:FDE185 4.2 11.5 0.5 C3D X:FDE185 4.2 8.9 0.5 C2A X:FDE185 4.2 8.9 0.5 O X:HOH858 4.3 27.3 1.0 C3D X:FDE185 4.3 12.7 0.5 C2A X:FDE185 4.3 12.7 0.5 C3A X:FDE185 4.3 13.5 0.5 C2D X:FDE185 4.3 13.5 0.5 CD2 X:LEU133 4.6 10.2 0.5 CD2 X:LEU123 5.0 11.8 1.0

Iron binding site 2 out of 2 in the 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.08 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Ammonia at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe185 b:9.1 occ:0.50 FE X:FDE185 0.0 9.1 0.5 FE X:FDE185 0.0 9.1 0.5 NC X:FDE185 2.0 9.8 0.5 NB X:FDE185 2.0 9.8 0.5 NA X:FDE185 2.0 8.3 0.5 ND X:FDE185 2.0 8.3 0.5 NE2 X:HIS59 2.0 8.3 1.0 N X:NH3700 2.0 11.2 0.5 NC X:FDE185 2.0 10.5 0.5 NB X:FDE185 2.0 10.5 0.5 NA X:FDE185 2.0 10.2 0.5 ND X:FDE185 2.0 10.2 0.5 CE1 X:HIS59 3.0 7.5 1.0 CD2 X:HIS59 3.0 8.9 1.0 C4C X:FDE185 3.0 9.5 0.5 C1B X:FDE185 3.0 9.5 0.5 C4B X:FDE185 3.0 12.1 0.5 C1C X:FDE185 3.0 12.1 0.5 C4B X:FDE185 3.0 11.2 0.5 C1C X:FDE185 3.0 11.2 0.5 C1D X:FDE185 3.0 8.3 0.5 C4A X:FDE185 3.0 8.3 0.5 C1A X:FDE185 3.0 8.5 0.5 C4D X:FDE185 3.0 8.5 0.5 C1A X:FDE185 3.0 10.7 0.5 C4D X:FDE185 3.0 10.7 0.5 C4C X:FDE185 3.0 11.6 0.5 C1B X:FDE185 3.0 11.6 0.5 C1D X:FDE185 3.0 12.4 0.5 C4A X:FDE185 3.0 12.4 0.5 CHC X:FDE185 3.4 11.6 0.5 CHC X:FDE185 3.4 11.6 0.5 CHB X:FDE185 3.4 9.6 0.5 CHD X:FDE185 3.4 9.6 0.5 CHA X:FDE185 3.4 10.2 0.5 CHA X:FDE185 3.4 10.2 0.5 CHB X:FDE185 3.4 11.1 0.5 CHD X:FDE185 3.4 11.1 0.5 ND1 X:HIS59 4.1 7.0 1.0 CG X:HIS59 4.1 7.4 1.0 O X:HOH777 4.2 24.2 1.0 C3B X:FDE185 4.2 11.6 0.5 C2C X:FDE185 4.2 11.6 0.5 C3C X:FDE185 4.2 10.7 0.5 C2B X:FDE185 4.2 10.7 0.5 C3A X:FDE185 4.2 8.3 0.5 C2D X:FDE185 4.2 8.3 0.5 C3C X:FDE185 4.2 12.6 0.5 C2B X:FDE185 4.2 12.6 0.5 C3B X:FDE185 4.2 11.5 0.5 C2C X:FDE185 4.2 11.5 0.5 C3D X:FDE185 4.2 8.9 0.5 C2A X:FDE185 4.2 8.9 0.5 O X:HOH858 4.3 27.3 1.0 C3D X:FDE185 4.3 12.7 0.5 C2A X:FDE185 4.3 12.7 0.5 C3A X:FDE185 4.3 13.5 0.5 C2D X:FDE185 4.3 13.5 0.5 CD2 X:LEU133 4.6 10.2 0.5 CD2 X:LEU123 5.0 11.8 1.0

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.