Iodine in PDB 6bri: Rhcc with Unreduced and Reduced Mercury Complexes

The structure of Rhcc with Unreduced and Reduced Mercury Complexes, PDB code: 6bri was solved by M.Mcdougall, B.Trieu, J.Stetefeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.69 / 3.27
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.823, 108.823, 70.388, 90.00, 90.00, 120.00
R / Rfree (%)	28.2 / 30

The structure of Rhcc with Unreduced and Reduced Mercury Complexes also contains other interesting chemical elements:

Mercury	(Hg)	13 atoms
Potassium	(K)	6 atoms
Sodium	(Na)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Iodine atom in the Rhcc with Unreduced and Reduced Mercury Complexes (pdb code 6bri). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 17 binding sites of Iodine where determined in the Rhcc with Unreduced and Reduced Mercury Complexes, PDB code: 6bri:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:I102 b:39.8 occ:0.57 HG A:HG101 2.9 95.6 0.6 I D:IOD102 3.6 85.1 0.6 CD1 D:ILE11 3.6 40.4 1.0 I A:IOD103 3.7 57.6 0.6 CG2 D:THR7 3.8 49.4 1.0 CG1 A:ILE4 4.1 19.2 1.0 N A:ALA8 4.4 37.2 1.0 CA A:ALA8 4.5 37.1 1.0 CD1 A:ILE4 4.6 33.4 1.0 O A:ILE4 4.6 45.0 1.0 CB A:ALA8 4.6 40.6 1.0 C A:THR7 4.6 41.9 1.0 OG1 A:THR7 4.6 47.2 1.0 O A:THR7 4.7 42.5 1.0 CB A:THR7 4.7 44.3 1.0 I A:IOD104 4.7 65.3 0.6 CB D:THR7 4.8 44.4 1.0 CD1 A:ILE11 4.8 39.7 1.0

Iodine binding site 2 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:I103 b:57.6 occ:0.57 HG A:HG101 3.4 95.6 0.6 I A:IOD102 3.7 39.8 0.6 CB B:ALA8 3.7 34.8 1.0 CB A:THR7 4.4 44.3 1.0 I A:IOD104 4.4 65.3 0.6 N B:ALA8 4.6 69.0 1.0 CG2 A:THR7 4.6 61.2 1.0 CA B:ALA8 4.7 49.6 1.0 O B:ALA8 4.8 42.9 1.0 OG1 A:THR7 4.9 47.2 1.0 O A:THR7 5.0 42.5 1.0

Iodine binding site 3 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:I104 b:65.3 occ:0.57 CG1 A:ILE4 3.6 19.2 1.0 K B:K108 3.6 45.1 1.0 HG A:HG101 3.6 95.6 0.6 OG1 A:THR7 3.8 47.2 1.0 CD1 A:ILE4 4.1 33.4 1.0 I A:IOD103 4.4 57.6 0.6 CB A:ILE4 4.5 28.9 1.0 CB A:THR7 4.5 44.3 1.0 CA A:ILE4 4.6 42.1 1.0 I A:IOD102 4.7 39.8 0.6 CG2 A:THR7 4.8 61.2 1.0 O A:ILE3 4.9 32.3 1.0

Iodine binding site 4 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:I102 b:32.6 occ:0.40 ND2 B:ASN28 3.3 33.0 1.0 OG B:SER25 3.7 43.3 1.0 CA B:SER25 3.7 31.8 1.0 CB B:SER25 4.0 33.7 1.0 CG B:ASN28 4.3 53.5 1.0 CB B:ASN28 4.4 43.4 1.0 N B:SER25 4.4 30.4 1.0 O B:GLU24 4.6 51.0 1.0 O B:SER25 4.7 41.5 1.0 C B:SER25 4.7 34.1 1.0 C B:GLU24 4.8 44.4 1.0

Iodine binding site 5 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:I103 b:39.7 occ:0.52 HG B:HG101 2.8 1.0 0.5 CD B:ARG36 3.5 48.4 1.0 CG1 B:ILE40 3.6 14.7 1.0 CD1 B:ILE40 3.9 17.5 1.0 O B:ARG36 3.9 29.7 1.0 CB B:MET39 4.1 21.5 1.0 CG B:MET39 4.3 28.7 1.0 CG B:ARG36 4.3 39.9 1.0 NE B:ARG36 4.6 56.3 1.0 N B:ILE40 4.7 33.1 1.0 C B:ARG36 4.7 22.1 1.0 CA B:ARG36 4.7 36.5 1.0 O4 B:SO4107 4.8 69.3 0.9 CB B:ILE40 5.0 14.4 1.0

Iodine binding site 6 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:I104 b:40.1 occ:0.52 HG B:HG101 3.0 1.0 0.5 CE B:MET39 3.6 30.2 1.0 CG B:MET39 4.2 28.7 1.0 O B:ASP35 4.4 49.6 1.0 CA B:ARG36 4.4 36.5 1.0 C B:ASP35 4.5 51.3 1.0 N B:ARG36 4.5 46.5 1.0 I B:IOD105 4.5 0.7 0.5 CB B:ASP35 4.6 45.3 1.0 SD B:MET39 4.7 74.7 1.0 CD B:ARG36 4.7 48.4 1.0 I B:IOD106 4.9 0.1 0.5

Iodine binding site 7 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:I105 b:0.7 occ:0.52 HG B:HG101 3.9 1.0 0.5 I B:IOD106 4.2 0.1 0.5 I B:IOD104 4.5 40.1 0.5 K B:K109 4.6 76.2 1.0

Iodine binding site 8 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ B:I106 b:0.1 occ:0.49 I B:IOD105 4.2 0.7 0.5 K B:K109 4.6 76.2 1.0 NH2 B:ARG36 4.9 96.5 1.0 I B:IOD104 4.9 40.1 0.5

Iodine binding site 9 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ D:I102 b:85.1 occ:0.57 HG A:HG101 3.0 95.6 0.6 O D:ILE4 3.2 37.0 1.0 I A:IOD102 3.6 39.8 0.6 CG2 D:ILE4 3.7 64.1 1.0 C D:ILE4 3.8 44.6 1.0 CB D:ALA8 3.9 34.0 1.0 CA D:ILE4 3.9 52.8 1.0 CD1 D:ILE4 3.9 49.3 1.0 N D:ALA8 4.0 37.9 1.0 CB D:ILE4 4.3 51.1 1.0 CB C:ALA8 4.3 71.5 1.0 CA D:ALA8 4.3 43.6 1.0 CB D:THR7 4.4 44.4 1.0 CD1 A:ILE4 4.4 33.4 1.0 CG2 D:THR7 4.6 49.4 1.0 CG1 D:ILE4 4.7 44.9 1.0 C D:THR7 4.8 28.8 1.0

Iodine binding site 10 out of 17 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range: probe atom residue distance (Å) B Occ D:I103 b:87.8 occ:0.56 OE2 D:GLU38 4.0 41.6 1.0 CG D:GLU38 4.1 32.9 1.0 CD D:GLU38 4.2 45.5 1.0 N D:MET39 4.3 51.6 1.0 CA D:MET39 4.3 47.1 1.0 CB D:MET39 4.5 56.6 1.0 HG D:HG101 4.5 57.2 0.6 O D:ASP35 4.5 31.0 1.0 C D:GLU38 4.6 49.9 1.0 CB D:GLU38 4.7 26.8 1.0 O D:GLU38 4.9 55.1 1.0 OE1 D:GLU38 4.9 40.9 1.0

M.Mcdougall, K.Mceleney, O.Francisco, B.Trieu, E.K.Ogbomo, G.Tomy, J.Stetefeld. Reductive Power of the Archaea Right-Handed Coiled Coil Nanotube (Rhcc-Nt) and Incorporation of Mercury Clusters Inside Protein Cages. J. Struct. Biol. V. 203 281 2018.
ISSN: ESSN 1095-8657
PubMed: 29879486
DOI: 10.1016/J.JSB.2018.05.013