Iron in PDB 2wx5: Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre

The structure of Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre, PDB code: 2wx5 was solved by M.Marsh, D.Frolov, L.I.Crouch, P.K.Fyfe, B.Robert, R.Van Grondelle, M.R.Jones, A.T.Hadfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.40 / 2.63
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.180, 140.180, 185.401, 90.00, 90.00, 120.00
R / Rfree (%)	23.7 / 27.9

The structure of Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre (pdb code 2wx5). 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 Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre, PDB code: 2wx5:

Iron binding site 1 out of 1 in the Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre within 5.0Å range: probe atom residue distance (Å) B Occ M:Fe1312 b:49.1 occ:1.00 NE2 L:HIS190 2.0 49.6 1.0 OE2 M:GLU234 2.1 56.2 1.0 NE2 M:HIS266 2.1 32.2 1.0 NE2 L:HIS230 2.3 41.4 1.0 OE1 M:GLU234 2.3 67.4 1.0 NE2 M:HIS219 2.3 52.6 1.0 CD M:GLU234 2.5 57.3 1.0 CE1 M:HIS266 2.9 45.1 1.0 CE1 L:HIS190 3.0 53.4 1.0 CE1 L:HIS230 3.0 50.8 1.0 CD2 L:HIS190 3.1 52.7 1.0 CE1 M:HIS219 3.2 52.5 1.0 CD2 M:HIS266 3.2 39.3 1.0 CD2 M:HIS219 3.3 50.2 1.0 CD2 L:HIS230 3.4 57.7 1.0 CG M:GLU234 4.0 49.5 1.0 ND1 L:HIS190 4.1 54.9 1.0 ND1 M:HIS266 4.1 40.4 1.0 CG L:HIS190 4.2 57.3 1.0 ND1 L:HIS230 4.2 45.8 1.0 CG M:HIS266 4.3 40.2 1.0 ND1 M:HIS219 4.3 59.0 1.0 CG M:HIS219 4.4 59.5 1.0 CG1 M:ILE223 4.4 43.4 1.0 CG L:HIS230 4.4 51.7 1.0 CD1 M:ILE223 4.8 51.3 1.0 CG2 L:VAL194 4.9 32.8 1.0 O M:HOH2059 4.9 56.4 1.0 CB M:GLU234 4.9 47.4 1.0

D.Frolov, M.Marsh, L.I.Crouch, P.K.Fyfe, B.Robert, R.Van Grondelle, A.T.Hadfield, M.R.Jones. Structural and Spectroscopic Consequences of Hexa-Coordination of A Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre Biochemistry V. 49 1882 2010.
ISSN: ISSN 0006-2960
PubMed: 20112981
DOI: 10.1021/BI901922T