Cadmium in PDB 4h0l: Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno

All present enzymatic activity of Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno:
1.10.9.1;

The structure of Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno, PDB code: 4h0l was solved by S.S.Hasan, E.Yamashita, D.Baniulis, W.A.Cramer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.45 / 3.25
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	159.133, 159.133, 362.250, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 24.7

The structure of Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Iron	(Fe)	6 atoms

The binding sites of Cadmium atom in the Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno (pdb code 4h0l). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno, PDB code: 4h0l:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:83.1 occ:1.00 OE2 A:GLU75 1.9 71.6 1.0 NE2 C:HIS143 2.3 90.5 1.0 CD A:GLU75 2.6 82.4 1.0 OE1 A:GLU75 2.6 0.9 1.0 CE1 C:HIS143 3.0 75.0 1.0 HE1 C:HIS143 3.0 90.0 1.0 O A:HOH401 3.1 57.5 1.0 O C:HOH401 3.3 55.5 1.0 CD2 C:HIS143 3.4 76.1 1.0 HD2 C:HIS143 3.7 91.3 1.0 O C:LYS140 3.7 0.1 1.0 HB3 A:ASN74 4.0 69.3 1.0 CG A:GLU75 4.1 64.1 1.0 ND1 C:HIS143 4.1 63.1 1.0 HA C:ASN141 4.3 0.9 1.0 HG2 A:GLU75 4.3 76.9 1.0 CG C:HIS143 4.4 56.5 1.0 HG3 A:GLU75 4.4 76.9 1.0 O A:ASN74 4.6 71.9 1.0 HA A:GLU75 4.7 77.3 1.0 OD1 C:ASN141 4.7 0.8 1.0 HD1 C:HIS143 4.8 75.8 1.0 C C:LYS140 4.9 95.4 1.0 CB A:ASN74 5.0 57.7 1.0

Cadmium binding site 2 out of 2 in the Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Cytochrome B6F Complex Crystal Structure From Mastigocladus Laminosus with N-Side Inhibitor Nqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd201 b:0.2 occ:1.00 OD1 B:ASP58 2.0 94.0 1.0 HZ1 C:LYS146 2.5 75.5 1.0 HZ2 C:LYS146 2.6 75.5 1.0 NZ C:LYS146 3.0 62.9 1.0 CG B:ASP58 3.0 83.3 1.0 OD2 B:ASP58 3.3 78.4 1.0 OE2 F:GLU4 3.5 0.7 1.0 HZ3 C:LYS146 3.6 75.5 1.0 HE3 C:LYS146 3.7 0.3 1.0 HB3 G:LEU5 3.8 86.7 1.0 CE C:LYS146 4.0 90.2 1.0 HB3 G:GLU3 4.1 0.8 1.0 HB2 G:LEU5 4.1 86.7 1.0 HD23 G:LEU5 4.2 97.2 1.0 CB B:ASP58 4.4 70.9 1.0 CB G:LEU5 4.4 72.3 1.0 CD F:GLU4 4.5 0.9 1.0 HE21 C:GLN38 4.5 93.8 1.0 HB2 B:ASP58 4.5 85.1 1.0 HE2 C:LYS146 4.5 0.3 1.0 HA G:GLU3 4.6 0.7 1.0 OE1 F:GLU4 4.6 0.6 1.0 H G:LEU5 4.7 86.0 1.0 HB3 B:ASP58 4.7 85.1 1.0 HD22 G:LEU5 4.8 97.2 1.0 HD2 G:PRO4 4.8 0.3 1.0 CD2 G:LEU5 4.9 81.0 1.0 HD2 C:LYS146 4.9 74.4 1.0 HZ2 A:TRP88 4.9 75.3 1.0 HG2 G:PRO4 4.9 0.6 1.0 CB G:GLU3 5.0 90.6 1.0

S.S.Hasan, E.Yamashita, D.Baniulis, W.A.Cramer. Quinone-Dependent Proton Transfer Pathways in the Photosynthetic Cytochrome B6F Complex Proc.Natl.Acad.Sci.Usa V. 110 4297 2013.
ISSN: ISSN 0027-8424
PubMed: 23440205
DOI: 10.1073/PNAS.1222248110