Iron in PDB 1ufj: Crystal Structure of An Artificial Metalloprotein:Fe(III)(3, 3'-ME2-Salophen)/Apo-A71G Myoglobin

The structure of Crystal Structure of An Artificial Metalloprotein:Fe(III)(3, 3'-ME2-Salophen)/Apo-A71G Myoglobin, PDB code: 1ufj was solved by T.Ueno, M.Ohashi, M.Kono, K.Kondo, A.Suzuki, T.Yamane, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.93 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.268, 57.600, 75.296, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 21.2

The binding sites of Iron atom in the Crystal Structure of An Artificial Metalloprotein:Fe(III)(3, 3'-ME2-Salophen)/Apo-A71G Myoglobin (pdb code 1ufj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of An Artificial Metalloprotein:Fe(III)(3, 3'-ME2-Salophen)/Apo-A71G Myoglobin, PDB code: 1ufj:

Iron binding site 1 out of 1 in the Crystal Structure of An Artificial Metalloprotein:Fe(III)(3, 3'-ME2-Salophen)/Apo-A71G Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of An Artificial Metalloprotein:Fe(III)(3, 3'-ME2-Salophen)/Apo-A71G Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe190 b:22.9 occ:1.00 OB A:CZM180 1.9 24.5 1.0 OA A:CZM180 1.9 29.6 1.0 NB A:CZM180 2.0 27.7 1.0 NA A:CZM180 2.2 31.1 1.0 NE2 A:HIS93 2.3 26.9 1.0 O A:HOH216 2.4 24.5 1.0 CC2 A:CZM180 2.9 30.9 1.0 CB2 A:CZM180 2.9 23.7 1.0 CB A:CZM180 2.9 26.2 1.0 CC1 A:CZM180 2.9 31.0 1.0 CA2 A:CZM180 3.1 31.1 1.0 CA A:CZM180 3.1 31.0 1.0 CD2 A:HIS93 3.2 27.2 1.0 CE1 A:HIS93 3.3 28.4 1.0 CB1 A:CZM180 3.3 24.0 1.0 CA1 A:CZM180 3.5 29.8 1.0 CB3 A:CZM180 4.1 23.2 1.0 CC3 A:CZM180 4.2 31.9 1.0 CA3 A:CZM180 4.3 29.7 1.0 CC6 A:CZM180 4.3 32.8 1.0 ND1 A:HIS93 4.4 26.5 1.0 CG A:HIS93 4.4 26.4 1.0 CB7 A:CZM180 4.6 22.2 1.0 NE2 A:HIS64 4.6 18.7 1.0 CA7 A:CZM180 4.7 31.7 1.0 CB6 A:CZM180 4.7 23.3 1.0 CE1 A:HIS64 4.8 16.5 1.0 CA6 A:CZM180 4.9 30.2 1.0 CG1 A:ILE99 4.9 23.0 1.0 CG2 A:VAL68 4.9 16.4 1.0

T.Ueno, M.Ohashi, M.Kono, K.Kondo, A.Suzuki, T.Yamane, Y.Watanabe. Crystal Structures of Artificial Metalloproteins: Tight Binding of Fe(III)(Schiff-Base) By Mutation of ALA71 to Gly in Apo-Myoglobin Inorg.Chem. V. 43 2852 2004.
ISSN: ISSN 0020-1669
PubMed: 15106972
DOI: 10.1021/IC0498539