Iodine in PDB 8cnz: Mmlare-[4FE-4S] Phased By Fe-Sad

The structure of Mmlare-[4FE-4S] Phased By Fe-Sad, PDB code: 8cnz was solved by L.Pecqueur, P.Zecchin, B.Golinelli-Pimpaneau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.37 / 3.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	187.516, 209.215, 195.799, 90, 90, 90
R / Rfree (%)	25.3 / 28

The structure of Mmlare-[4FE-4S] Phased By Fe-Sad also contains other interesting chemical elements:

Iron	(Fe)	28 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Iodine atom in the Mmlare-[4FE-4S] Phased By Fe-Sad (pdb code 8cnz). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Mmlare-[4FE-4S] Phased By Fe-Sad, PDB code: 8cnz:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:82.7 occ:0.50 CB A:ASN149 4.0 104.9 1.0 ND2 A:ASN149 4.0 109.7 1.0 CG A:PHE18 4.1 112.2 1.0 CD1 A:PHE18 4.2 113.2 1.0 CD2 A:PHE18 4.2 113.0 1.0 CA A:PRO146 4.3 99.7 1.0 CE1 A:PHE18 4.4 113.9 1.0 CB A:PRO146 4.4 100.3 1.0 CE2 A:PHE18 4.4 113.7 1.0 CD2 A:LEU150 4.5 107.2 1.0 CZ A:PHE18 4.5 113.6 1.0 CG A:ASN149 4.5 109.2 1.0 CB A:PHE18 4.6 111.3 1.0 O A:PRO146 4.7 99.2 1.0 CG A:LEU150 4.7 106.8 1.0 CG2 A:ILE144 4.8 103.2 1.0

Iodine binding site 2 out of 4 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:97.4 occ:0.74 O B:LYS245 3.9 82.2 1.0 CA B:ILE246 4.1 80.8 1.0 CA E:ILE246 4.2 80.7 1.0 O E:LYS245 4.3 81.4 1.0 C B:LYS245 4.4 82.0 1.0 CD B:LYS245 4.4 93.4 1.0 N B:ILE246 4.4 81.1 1.0 CG B:LYS245 4.4 88.7 1.0 O B:ILE246 4.6 80.8 1.0 O E:ILE246 4.6 80.7 1.0 N E:ILE246 4.7 80.7 1.0 C E:LYS245 4.7 81.3 1.0 C B:ILE246 4.8 80.8 1.0 CD E:LYS245 4.8 93.1 1.0 CG1 B:ILE246 4.8 82.0 1.0 CG E:LYS245 4.9 87.7 1.0 CG1 E:ILE246 4.9 81.6 1.0 C E:ILE246 4.9 80.9 1.0 CB B:ILE246 5.0 80.9 1.0

Iodine binding site 3 out of 4 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ D:I302 b:108.8 occ:0.76 CA D:ILE246 4.1 83.5 1.0 O D:LYS245 4.3 84.6 1.0 CA A:ILE246 4.3 85.8 1.0 O A:LYS245 4.4 86.7 1.0 N D:ILE246 4.5 83.6 1.0 CG1 D:ILE246 4.5 84.5 1.0 CD A:LYS245 4.5 95.4 1.0 CD D:LYS245 4.5 92.3 1.0 C D:LYS245 4.6 84.2 1.0 CG D:LYS245 4.7 88.8 1.0 N A:ILE246 4.7 85.8 1.0 CG A:LYS245 4.7 91.5 1.0 C A:LYS245 4.7 86.3 1.0 CG1 A:ILE246 4.8 85.9 1.0 OE2 D:GLU242 4.8 103.7 1.0 O D:ILE246 4.9 83.8 1.0 CB D:ILE246 4.9 83.8 1.0 O A:ILE246 5.0 87.0 1.0 OE2 A:GLU242 5.0 112.1 1.0 CD1 D:LEU194 5.0 98.7 1.0

Iodine binding site 4 out of 4 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ G:I302 b:72.4 occ:0.50 CD C:LYS245 3.9 110.8 1.0 CA G:ILE246 4.1 111.7 1.0 O C:LYS245 4.2 104.0 1.0 CG C:LYS245 4.2 107.4 1.0 O G:LYS245 4.2 111.8 1.0 CA C:ILE246 4.3 102.8 1.0 CD G:LYS245 4.4 119.3 1.0 N G:ILE246 4.5 111.7 1.0 CG1 G:ILE246 4.5 113.6 1.0 C C:LYS245 4.5 103.6 1.0 C G:LYS245 4.6 111.8 1.0 N C:ILE246 4.6 103.0 1.0 CG G:LYS245 4.6 115.8 1.0 CE C:LYS245 4.7 114.1 1.0 O G:ILE246 4.8 111.0 1.0 OE2 C:GLU242 4.8 118.5 1.0 CB G:ILE246 4.8 112.5 1.0 OE2 G:GLU242 4.8 127.8 1.0 CG1 C:ILE246 4.9 104.8 1.0 C G:ILE246 4.9 111.1 1.0

P.Zecchin, L.Pecqueur, J.Oltmanns, C.Velours, V.Schunemann, M.Fontecave, B.Golinelli-Pimpaneau. Structure-Based Insights Into the Mechanism of [4FE-4S]-Dependent Sulfur Insertase Lare. Protein Sci. E4874 2023.
ISSN: ESSN 1469-896X
PubMed: 38100250
DOI: 10.1002/PRO.4874