Iron in PDB 4g71: Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus

All present enzymatic activity of Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus:
1.9.3.1;

The structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus, PDB code: 4g71 was solved by Y.Li, Y.Chen, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.93 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	144.440, 98.360, 94.840, 90.00, 127.81, 90.00
R / Rfree (%)	18 / 22.4

The structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus also contains other interesting chemical elements:

Copper

(Cu)

3 atoms

The binding sites of Iron atom in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus (pdb code 4g71). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus, PDB code: 4g71:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:23.5 occ:1.00 FE A:HEM602 0.0 23.5 1.0 NA A:HEM602 2.0 20.7 1.0 ND A:HEM602 2.0 23.7 1.0 NC A:HEM602 2.1 22.3 1.0 NE2 A:HIS72 2.1 24.9 1.0 NE2 A:HIS386 2.1 22.0 1.0 NB A:HEM602 2.2 23.3 1.0 C1A A:HEM602 2.9 20.7 1.0 C4D A:HEM602 2.9 22.5 1.0 C4C A:HEM602 2.9 23.0 1.0 C1D A:HEM602 3.0 24.5 1.0 CE1 A:HIS72 3.0 25.4 1.0 CE1 A:HIS386 3.0 22.9 1.0 C1C A:HEM602 3.1 23.4 1.0 C4A A:HEM602 3.1 21.3 1.0 C4B A:HEM602 3.1 24.8 1.0 CD2 A:HIS72 3.1 24.5 1.0 C1B A:HEM602 3.1 23.5 1.0 CD2 A:HIS386 3.2 22.7 1.0 CHD A:HEM602 3.3 24.4 1.0 CHA A:HEM602 3.3 22.6 1.0 CHC A:HEM602 3.5 23.8 1.0 CHB A:HEM602 3.6 21.8 1.0 C3C A:HEM602 4.1 22.4 1.0 ND1 A:HIS72 4.2 27.6 1.0 ND1 A:HIS386 4.2 23.9 1.0 C2D A:HEM602 4.2 24.4 1.0 C3D A:HEM602 4.2 22.1 1.0 C2C A:HEM602 4.2 23.9 1.0 C2A A:HEM602 4.2 20.4 1.0 CG A:HIS72 4.2 26.2 1.0 C2B A:HEM602 4.3 25.8 1.0 C3A A:HEM602 4.3 21.8 1.0 CG A:HIS386 4.3 24.5 1.0 C3B A:HEM602 4.3 27.5 1.0 OE1 A:GLN42 4.9 20.6 1.0

Iron binding site 2 out of 2 in the Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:30.4 occ:1.00 FE A:HAS603 0.0 30.4 1.0 ND A:HAS603 2.0 31.9 1.0 NB A:HAS603 2.0 28.6 1.0 NC A:HAS603 2.0 28.0 1.0 NA A:HAS603 2.1 30.5 1.0 O1 A:PER604 2.2 36.8 1.0 NE2 A:HIS384 2.7 30.1 1.0 C1B A:HAS603 3.0 28.6 1.0 C4B A:HAS603 3.0 27.5 1.0 C4A A:HAS603 3.0 30.5 1.0 C1C A:HAS603 3.0 26.5 1.0 C1D A:HAS603 3.0 31.7 1.0 C4C A:HAS603 3.0 27.7 1.0 C1A A:HAS603 3.1 29.6 1.0 C4D A:HAS603 3.1 30.8 1.0 O2 A:PER604 3.2 38.4 1.0 CHB A:HAS603 3.3 29.1 1.0 CHC A:HAS603 3.4 26.6 1.0 CHD A:HAS603 3.4 29.5 1.0 CHA A:HAS603 3.5 30.1 1.0 CE1 A:HIS384 3.6 32.2 1.0 CD2 A:HIS384 3.8 31.2 1.0 C2C A:HAS603 4.2 25.9 1.0 C2B A:HAS603 4.2 28.7 1.0 C3B A:HAS603 4.3 27.8 1.0 C3C A:HAS603 4.3 26.2 1.0 C3A A:HAS603 4.3 29.3 1.0 C2A A:HAS603 4.3 28.8 1.0 C2D A:HAS603 4.3 33.6 1.0 OD1 A:ASN236 4.3 36.1 1.0 C3D A:HAS603 4.4 32.5 1.0 CU A:CUB601 4.5 29.1 1.0 CE1 A:HIS233 4.6 31.8 1.0 ND1 A:HIS384 4.8 30.3 1.0 CG A:ASN236 4.9 31.7 1.0 ND1 A:HIS233 4.9 31.1 1.0 CG A:HIS384 5.0 27.8 1.0

Y.Li, Y.Chen, C.D.Stout. Structure of Recombinant Cytochrome BA3 Oxidase Mutant V236N From Thermus Thermophilus To Be Published.