Iron in PDB 2at6: 1.22 A Crystal Structure of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) Deuteroporphyrin IX Complexed with Water 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 Water at pH 5.6, PDB code: 2at6 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 (°)	70.288, 42.699, 52.979, 90.00, 94.35, 90.00
R / Rfree (%)	13.3 / 16.7

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 Water at pH 5.6 (pdb code 2at6). 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 Water at pH 5.6, PDB code: 2at6:
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 Water 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 Water at pH 5.6 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe185 b:11.2 occ:0.50 FE X:FDE185 0.0 11.2 0.5 FE X:FDE185 0.0 11.2 0.5 NC X:FDE185 1.9 11.8 0.5 NB X:FDE185 1.9 11.8 0.5 NA X:FDE185 2.0 10.4 0.5 ND X:FDE185 2.0 10.4 0.5 NA X:FDE185 2.0 11.6 0.5 ND X:FDE185 2.0 11.6 0.5 NC X:FDE185 2.0 14.4 0.5 NB X:FDE185 2.0 14.4 0.5 NE2 X:HIS59 2.0 9.4 1.0 O X:HOH472 2.0 16.0 1.0 C1B X:FDE185 2.9 11.7 0.5 C4C X:FDE185 2.9 11.7 0.5 C1C X:FDE185 3.0 12.8 0.5 C4B X:FDE185 3.0 12.8 0.5 CD2 X:HIS59 3.0 9.9 1.0 C1C X:FDE185 3.0 14.5 0.5 C4B X:FDE185 3.0 14.5 0.5 CE1 X:HIS59 3.0 8.4 1.0 C1D X:FDE185 3.0 10.0 0.5 C4A X:FDE185 3.0 10.0 0.5 C1A X:FDE185 3.0 10.3 0.5 C4D X:FDE185 3.0 10.3 0.5 C1D X:FDE185 3.0 13.9 0.5 C4A X:FDE185 3.0 13.9 0.5 C1B X:FDE185 3.1 13.3 0.5 C4C X:FDE185 3.1 13.3 0.5 C1A X:FDE185 3.1 12.3 0.5 C4D X:FDE185 3.1 12.3 0.5 CHB X:FDE185 3.4 12.1 0.5 CHD X:FDE185 3.4 12.1 0.5 CHC X:FDE185 3.4 13.1 0.5 CHC X:FDE185 3.4 13.1 0.5 CHB X:FDE185 3.4 13.8 0.5 CHD X:FDE185 3.4 13.8 0.5 CHA X:FDE185 3.4 11.5 0.5 CHA X:FDE185 3.4 11.5 0.5 ND1 X:HIS59 4.1 7.9 1.0 CG X:HIS59 4.1 7.8 1.0 C2B X:FDE185 4.2 13.6 0.5 C3C X:FDE185 4.2 13.6 0.5 O X:HOH443 4.2 19.0 0.5 C2C X:FDE185 4.2 13.0 0.5 C3B X:FDE185 4.2 13.0 0.5 C2C X:FDE185 4.2 13.4 0.5 C3B X:FDE185 4.2 13.4 0.5 C3A X:FDE185 4.2 10.9 0.5 C2D X:FDE185 4.2 10.9 0.5 C3D X:FDE185 4.3 10.1 0.5 C2A X:FDE185 4.3 10.1 0.5 C2B X:FDE185 4.3 15.2 0.5 C3C X:FDE185 4.3 15.2 0.5 C3A X:FDE185 4.3 14.9 0.5 C2D X:FDE185 4.3 14.9 0.5 C3D X:FDE185 4.3 13.6 0.5 C2A X:FDE185 4.3 13.6 0.5 CD2 X:LEU133 4.5 12.4 0.7 O X:HOH443 4.6 15.2 0.5

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 Water 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 Water at pH 5.6 within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe185 b:11.2 occ:0.50 FE X:FDE185 0.0 11.2 0.5 FE X:FDE185 0.0 11.2 0.5 NC X:FDE185 1.9 11.8 0.5 NB X:FDE185 1.9 11.8 0.5 NA X:FDE185 2.0 10.4 0.5 ND X:FDE185 2.0 10.4 0.5 NA X:FDE185 2.0 11.6 0.5 ND X:FDE185 2.0 11.6 0.5 NC X:FDE185 2.0 14.4 0.5 NB X:FDE185 2.0 14.4 0.5 NE2 X:HIS59 2.0 9.4 1.0 O X:HOH472 2.0 16.0 1.0 C1B X:FDE185 2.9 11.7 0.5 C4C X:FDE185 2.9 11.7 0.5 C1C X:FDE185 3.0 12.8 0.5 C4B X:FDE185 3.0 12.8 0.5 CD2 X:HIS59 3.0 9.9 1.0 C1C X:FDE185 3.0 14.5 0.5 C4B X:FDE185 3.0 14.5 0.5 CE1 X:HIS59 3.0 8.4 1.0 C1D X:FDE185 3.0 10.0 0.5 C4A X:FDE185 3.0 10.0 0.5 C1A X:FDE185 3.0 10.3 0.5 C4D X:FDE185 3.0 10.3 0.5 C1D X:FDE185 3.0 13.9 0.5 C4A X:FDE185 3.0 13.9 0.5 C1B X:FDE185 3.1 13.3 0.5 C4C X:FDE185 3.1 13.3 0.5 C1A X:FDE185 3.1 12.3 0.5 C4D X:FDE185 3.1 12.3 0.5 CHB X:FDE185 3.4 12.1 0.5 CHD X:FDE185 3.4 12.1 0.5 CHC X:FDE185 3.4 13.1 0.5 CHC X:FDE185 3.4 13.1 0.5 CHB X:FDE185 3.4 13.8 0.5 CHD X:FDE185 3.4 13.8 0.5 CHA X:FDE185 3.4 11.5 0.5 CHA X:FDE185 3.4 11.5 0.5 ND1 X:HIS59 4.1 7.9 1.0 CG X:HIS59 4.1 7.8 1.0 C2B X:FDE185 4.2 13.6 0.5 C3C X:FDE185 4.2 13.6 0.5 O X:HOH443 4.2 19.0 0.5 C2C X:FDE185 4.2 13.0 0.5 C3B X:FDE185 4.2 13.0 0.5 C2C X:FDE185 4.2 13.4 0.5 C3B X:FDE185 4.2 13.4 0.5 C3A X:FDE185 4.2 10.9 0.5 C2D X:FDE185 4.2 10.9 0.5 C3D X:FDE185 4.3 10.1 0.5 C2A X:FDE185 4.3 10.1 0.5 C2B X:FDE185 4.3 15.2 0.5 C3C X:FDE185 4.3 15.2 0.5 C3A X:FDE185 4.3 14.9 0.5 C2D X:FDE185 4.3 14.9 0.5 C3D X:FDE185 4.3 13.6 0.5 C2A X:FDE185 4.3 13.6 0.5 CD2 X:LEU133 4.5 12.4 0.7 O X:HOH443 4.6 15.2 0.5

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.