Iron in PDB 1mni: Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant

The structure of Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant, PDB code: 1mni was solved by S.Krzywda, A.J.Wilkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.07
Space group	I 21
Cell size a, b, c (Å), α, β, γ (°)	124.490, 42.280, 92.270, 90.00, 92.62, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant (pdb code 1mni). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant, PDB code: 1mni:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe154 b:21.0 occ:1.00 FE A:HEM154 0.0 21.0 1.0 NC A:HEM154 2.0 20.1 1.0 ND A:HEM154 2.0 20.5 1.0 NA A:HEM154 2.0 19.2 1.0 NB A:HEM154 2.0 19.7 1.0 NE2 A:HIS93 2.3 25.2 1.0 NE2 A:HIS68 2.3 20.6 1.0 C1D A:HEM154 3.0 20.2 1.0 C4C A:HEM154 3.0 20.3 1.0 C1A A:HEM154 3.0 19.4 1.0 C4D A:HEM154 3.0 20.6 1.0 C4A A:HEM154 3.0 18.7 1.0 C4B A:HEM154 3.0 19.6 1.0 CD2 A:HIS68 3.0 18.2 1.0 CE1 A:HIS93 3.1 28.7 1.0 C1C A:HEM154 3.1 19.5 1.0 C1B A:HEM154 3.1 19.0 1.0 CE1 A:HIS68 3.3 21.6 1.0 CD2 A:HIS93 3.3 26.6 1.0 CHD A:HEM154 3.4 20.0 1.0 CHC A:HEM154 3.4 19.7 1.0 CHA A:HEM154 3.4 19.9 1.0 CHB A:HEM154 3.5 18.7 1.0 CG A:HIS68 4.2 18.0 1.0 C3D A:HEM154 4.2 21.9 1.0 C2A A:HEM154 4.2 19.5 1.0 C3A A:HEM154 4.2 18.7 1.0 ND1 A:HIS93 4.2 25.3 1.0 C2D A:HEM154 4.2 21.3 1.0 C3C A:HEM154 4.2 19.7 1.0 ND1 A:HIS68 4.2 20.6 1.0 C2C A:HEM154 4.3 19.4 1.0 C3B A:HEM154 4.3 19.8 1.0 C2B A:HEM154 4.3 19.9 1.0 CG A:HIS93 4.4 24.4 1.0

Iron binding site 2 out of 2 in the Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bis-Imidazole Ligation in the HIS64-- >Val(Slash)VAL68-->His Double Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe154 b:18.6 occ:1.00 FE B:HEM154 0.0 18.6 1.0 NC B:HEM154 1.9 16.3 1.0 NA B:HEM154 2.0 18.1 1.0 NB B:HEM154 2.0 17.7 1.0 ND B:HEM154 2.0 17.7 1.0 NE2 B:HIS93 2.1 19.4 1.0 NE2 B:HIS68 2.3 18.6 1.0 C4C B:HEM154 3.0 16.8 1.0 C1C B:HEM154 3.0 17.2 1.0 C4A B:HEM154 3.0 18.8 1.0 CD2 B:HIS93 3.0 17.2 1.0 CD2 B:HIS68 3.0 18.1 1.0 C1A B:HEM154 3.0 18.9 1.0 C4B B:HEM154 3.0 18.0 1.0 C4D B:HEM154 3.0 18.3 1.0 C1D B:HEM154 3.0 17.5 1.0 C1B B:HEM154 3.1 17.4 1.0 CE1 B:HIS93 3.2 20.8 1.0 CE1 B:HIS68 3.3 17.2 1.0 CHC B:HEM154 3.4 17.3 1.0 CHA B:HEM154 3.5 18.2 1.0 CHB B:HEM154 3.5 18.5 1.0 CHD B:HEM154 3.5 16.5 1.0 CG B:HIS68 4.1 19.6 1.0 C3C B:HEM154 4.2 17.4 1.0 CG B:HIS93 4.2 17.9 1.0 C2C B:HEM154 4.2 17.2 1.0 ND1 B:HIS93 4.2 20.4 1.0 C2A B:HEM154 4.2 19.3 1.0 ND1 B:HIS68 4.2 17.3 1.0 C3A B:HEM154 4.2 18.4 1.0 C3D B:HEM154 4.3 19.5 1.0 C3B B:HEM154 4.3 18.1 1.0 C2B B:HEM154 4.3 18.2 1.0 C2D B:HEM154 4.3 18.9 1.0

Y.Dou, S.J.Admiraal, M.Ikeda-Saito, S.Krzywda, A.J.Wilkinson, T.Li, J.S.Olson, R.C.Prince, I.J.Pickering, G.N.George. Alteration of Axial Coordination By Protein Engineering in Myoglobin. Bisimidazole Ligation in the HIS64-->Val/VAL68-->His Double Mutant. J.Biol.Chem. V. 270 15993 1995.
ISSN: ISSN 0021-9258
PubMed: 7608158
DOI: 10.1074/JBC.270.27.15993