Iron in PDB 4qlw: Azurin Mutant M121E with Iron

The structure of Azurin Mutant M121E with Iron, PDB code: 4qlw was solved by J.Liu, H.Robinson, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.38 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.853, 80.208, 109.040, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 26.2

The binding sites of Iron atom in the Azurin Mutant M121E with Iron (pdb code 4qlw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Azurin Mutant M121E with Iron, PDB code: 4qlw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Azurin Mutant M121E with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Azurin Mutant M121E with Iron within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:26.6 occ:1.00 OE1 B:GLU121 1.9 22.7 1.0 ND1 B:HIS46 2.1 26.6 1.0 ND1 B:HIS117 2.1 22.1 1.0 SG B:CYS112 2.4 24.3 1.0 CD B:GLU121 2.9 28.3 1.0 CE1 B:HIS46 2.9 25.1 1.0 O B:GLY45 3.0 26.3 1.0 CE1 B:HIS117 3.0 21.1 1.0 OE2 B:GLU121 3.0 31.3 1.0 CG B:HIS117 3.1 23.3 1.0 CG B:HIS46 3.2 27.6 1.0 CB B:CYS112 3.2 24.4 1.0 CB B:HIS117 3.4 22.3 1.0 CA B:HIS46 3.5 22.9 1.0 CB B:HIS46 3.6 25.3 1.0 C B:GLY45 4.0 25.3 1.0 NE2 B:HIS46 4.1 26.6 1.0 NE2 B:HIS117 4.2 24.3 1.0 N B:HIS46 4.2 25.2 1.0 CB B:PHE114 4.2 23.4 1.0 CD2 B:HIS117 4.2 21.3 1.0 CG B:GLU121 4.3 22.2 1.0 CD2 B:HIS46 4.3 24.1 1.0 CB B:GLU121 4.5 23.3 1.0 CA B:CYS112 4.7 23.4 1.0 C B:HIS46 4.7 24.8 1.0 N B:ASN47 4.7 24.9 1.0 CA B:HIS117 4.9 25.8 1.0

Iron binding site 2 out of 2 in the Azurin Mutant M121E with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Azurin Mutant M121E with Iron within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:32.7 occ:1.00 OE1 D:GLU121 2.0 31.7 1.0 ND1 D:HIS46 2.1 30.5 1.0 ND1 D:HIS117 2.1 30.6 1.0 SG D:CYS112 2.4 26.9 1.0 CE1 D:HIS46 2.8 28.5 1.0 O D:GLY45 3.0 26.6 1.0 CE1 D:HIS117 3.0 31.3 1.0 CD D:GLU121 3.0 36.6 1.0 CG D:HIS117 3.1 34.4 1.0 CB D:CYS112 3.2 24.3 1.0 CG D:HIS46 3.2 29.8 1.0 OE2 D:GLU121 3.4 35.9 1.0 CB D:HIS117 3.4 28.2 1.0 CA D:HIS46 3.7 27.8 1.0 CB D:HIS46 3.8 27.8 1.0 C D:GLY45 4.0 24.3 1.0 NE2 D:HIS46 4.1 32.2 1.0 NE2 D:HIS117 4.2 31.3 1.0 CB D:PHE114 4.2 26.8 1.0 CD2 D:HIS117 4.2 30.1 1.0 CD2 D:HIS46 4.3 29.8 1.0 N D:HIS46 4.3 25.7 1.0 CG D:GLU121 4.4 33.8 1.0 CB D:GLU121 4.6 30.9 1.0 CA D:CYS112 4.7 24.7 1.0 N D:ASN47 4.8 26.6 1.0 C D:HIS46 4.8 27.9 1.0 CA D:HIS117 4.9 27.3 1.0

J.Liu, K.K.Meier, S.Tian, J.L.Zhang, H.Guo, C.E.Schulz, H.Robinson, M.J.Nilges, E.Munck, Y.Lu. Redesigning the Blue Copper Azurin Into A Redox-Active Mononuclear Nonheme Iron Protein: Preparation and Study of Fe(II)-M121E Azurin. J.Am.Chem.Soc. V. 136 12337 2014.
ISSN: ISSN 0002-7863
PubMed: 25082811
DOI: 10.1021/JA505410U