Iron in PDB 1ehk: Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus

All present enzymatic activity of Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus:
1.9.3.1;

The structure of Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus, PDB code: 1ehk was solved by T.Soulimane, G.Buse, G.P.Bourenkov, H.D.Bartunik, R.Huber, M.E.Than, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	112.110, 112.110, 161.410, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26.4

The structure of Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus also contains other interesting chemical elements:

Copper

(Cu)

3 atoms

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

Iron binding site 1 out of 2 in the Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase 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 Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:37.5 occ:1.00 FE A:HEM800 0.0 37.5 1.0 NB A:HEM800 2.0 45.0 1.0 ND A:HEM800 2.0 41.3 1.0 NA A:HEM800 2.0 47.2 1.0 NC A:HEM800 2.0 40.6 1.0 NE2 A:HIS386 2.2 28.5 1.0 NE2 A:HIS72 2.2 28.1 1.0 C1B A:HEM800 3.0 38.3 1.0 C4A A:HEM800 3.0 34.7 1.0 C1D A:HEM800 3.0 41.0 1.0 C4C A:HEM800 3.0 43.1 1.0 C4B A:HEM800 3.0 42.9 1.0 C1C A:HEM800 3.0 42.1 1.0 C1A A:HEM800 3.0 42.7 1.0 C4D A:HEM800 3.0 44.8 1.0 CE1 A:HIS386 3.1 33.1 1.0 CE1 A:HIS72 3.2 30.9 1.0 CD2 A:HIS72 3.2 28.3 1.0 CD2 A:HIS386 3.3 34.8 1.0 CHB A:HEM800 3.4 37.0 1.0 CHD A:HEM800 3.4 40.4 1.0 CHC A:HEM800 3.4 43.7 1.0 CHA A:HEM800 3.4 41.8 1.0 C3A A:HEM800 4.2 41.2 1.0 C2B A:HEM800 4.2 43.8 1.0 C2A A:HEM800 4.2 41.2 1.0 C2D A:HEM800 4.2 40.6 1.0 C3B A:HEM800 4.2 40.7 1.0 C3C A:HEM800 4.3 43.7 1.0 C3D A:HEM800 4.3 38.8 1.0 C2C A:HEM800 4.3 41.2 1.0 CG A:HIS72 4.3 35.6 1.0 ND1 A:HIS386 4.3 35.6 1.0 CG A:HIS386 4.3 33.0 1.0 ND1 A:HIS72 4.3 30.4 1.0 OE1 A:GLN42 4.7 48.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase 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 Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:41.9 occ:1.00 FE A:HAS801 0.0 41.9 1.0 NC A:HAS801 2.0 34.6 1.0 ND A:HAS801 2.0 29.7 1.0 NA A:HAS801 2.0 34.1 1.0 NB A:HAS801 2.0 44.7 1.0 O A:HOH991 2.3 33.4 1.0 C4D A:HAS801 3.0 30.7 1.0 C1C A:HAS801 3.0 29.5 1.0 C1A A:HAS801 3.0 28.9 1.0 C4C A:HAS801 3.0 34.4 1.0 C4A A:HAS801 3.0 32.1 1.0 C1D A:HAS801 3.0 32.5 1.0 C1B A:HAS801 3.0 40.5 1.0 C4B A:HAS801 3.0 39.3 1.0 NE2 A:HIS384 3.3 57.8 1.0 CHA A:HAS801 3.4 32.7 1.0 CHD A:HAS801 3.4 28.0 1.0 CHC A:HAS801 3.4 33.5 1.0 CHB A:HAS801 3.4 33.1 1.0 CE1 A:HIS384 3.8 51.3 1.0 C3D A:HAS801 4.2 31.9 1.0 C2C A:HAS801 4.2 36.5 1.0 C2D A:HAS801 4.3 29.3 1.0 C2A A:HAS801 4.3 34.2 1.0 C3C A:HAS801 4.3 35.2 1.0 C3A A:HAS801 4.3 34.4 1.0 C2B A:HAS801 4.3 40.6 1.0 C3B A:HAS801 4.3 43.5 1.0 CU A:CU803 4.4 37.4 1.0 CD2 A:HIS384 4.5 49.6 1.0 CE1 A:HIS233 4.9 31.4 1.0 CG2 A:VAL236 5.0 33.2 1.0

T.Soulimane, G.Buse, G.P.Bourenkov, H.D.Bartunik, R.Huber, M.E.Than. Structure and Mechanism of the Aberrant Ba(3)-Cytochrome C Oxidase From Thermus Thermophilus. Embo J. V. 19 1766 2000.
ISSN: ISSN 0261-4189
PubMed: 10775261
DOI: 10.1093/EMBOJ/19.8.1766