Iron in PDB 2hbf: High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes

The structure of High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes, PDB code: 2hbf was solved by K.A.Johnson, J.S.Olson, G.N.Phillips Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.050, 54.050, 193.800, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / n/a

The binding sites of Iron atom in the High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes (pdb code 2hbf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes, PDB code: 2hbf:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:24.9 occ:1.00 FE A:HEM142 0.0 24.9 1.0 C A:NPN143 1.7 24.7 1.0 ND A:HEM142 2.0 26.5 1.0 NB A:HEM142 2.0 25.9 1.0 NA A:HEM142 2.0 26.3 1.0 NE2 A:HIS87 2.0 26.7 1.0 NC A:HEM142 2.0 28.4 1.0 N A:NPN143 2.6 27.2 1.0 CE1 A:HIS87 2.9 26.1 1.0 C4B A:HEM142 3.0 26.1 1.0 C4A A:HEM142 3.0 28.2 1.0 C4D A:HEM142 3.0 29.1 1.0 C1D A:HEM142 3.0 24.9 1.0 C1B A:HEM142 3.0 27.1 1.0 C1C A:HEM142 3.1 28.9 1.0 C4C A:HEM142 3.1 27.2 1.0 CD2 A:HIS87 3.1 28.1 1.0 C1A A:HEM142 3.1 28.7 1.0 CHC A:HEM142 3.3 28.4 1.0 CHB A:HEM142 3.4 25.8 1.0 CHD A:HEM142 3.4 26.9 1.0 CHA A:HEM142 3.5 26.7 1.0 C1 A:NPN143 3.9 24.6 1.0 ND1 A:HIS87 4.1 24.3 1.0 CG A:HIS87 4.2 25.9 1.0 C3B A:HEM142 4.2 25.8 1.0 C3D A:HEM142 4.2 30.5 1.0 C3A A:HEM142 4.3 29.9 1.0 C2B A:HEM142 4.3 25.2 1.0 C2C A:HEM142 4.3 27.9 1.0 C2D A:HEM142 4.3 30.7 1.0 C3C A:HEM142 4.3 27.6 1.0 C2A A:HEM142 4.4 29.9 1.0 NE2 A:HIS58 4.5 34.7 1.0 C3 A:NPN143 4.5 28.6 1.0 C2 A:NPN143 4.8 30.1 1.0 CG2 A:VAL62 4.9 21.4 1.0

Iron binding site 2 out of 2 in the High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:29.1 occ:1.00 FE B:HEM147 0.0 29.1 1.0 C B:NPN148 1.8 28.4 1.0 NB B:HEM147 2.0 27.2 1.0 NA B:HEM147 2.0 32.7 1.0 NE2 B:HIS92 2.0 28.2 1.0 NC B:HEM147 2.0 29.2 1.0 ND B:HEM147 2.0 31.6 1.0 N B:NPN148 2.7 35.1 1.0 CE1 B:HIS92 2.9 29.4 1.0 C4B B:HEM147 3.0 27.9 1.0 C1B B:HEM147 3.0 24.4 1.0 CD2 B:HIS92 3.0 28.2 1.0 C4D B:HEM147 3.0 32.4 1.0 C1A B:HEM147 3.1 33.0 1.0 C1C B:HEM147 3.1 27.2 1.0 C4A B:HEM147 3.1 31.8 1.0 C4C B:HEM147 3.1 27.9 1.0 C1D B:HEM147 3.1 30.8 1.0 CHC B:HEM147 3.4 23.2 1.0 CHA B:HEM147 3.4 29.7 1.0 CHB B:HEM147 3.4 27.0 1.0 CHD B:HEM147 3.5 30.0 1.0 C1 B:NPN148 3.9 39.2 1.0 ND1 B:HIS92 4.1 29.4 1.0 CG B:HIS92 4.2 31.0 1.0 C2B B:HEM147 4.2 28.6 1.0 C3A B:HEM147 4.3 32.2 1.0 C3D B:HEM147 4.3 35.5 1.0 C2A B:HEM147 4.3 34.9 1.0 C3B B:HEM147 4.3 28.0 1.0 C2D B:HEM147 4.4 32.3 1.0 C2 B:NPN148 4.4 50.5 1.0 C2C B:HEM147 4.4 27.3 1.0 C3C B:HEM147 4.4 27.9 1.0 NE2 B:HIS63 4.7 42.1 1.0 C3 B:NPN148 4.7 49.5 1.0

K.A.Johnson, K.A.Johnson, J.S.Olson, G.N.Phillips Jr.. N/A N/A.