Chlorine 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
Iodine	(I)	4 atoms

The binding sites of Chlorine atom in the Mmlare-[4FE-4S] Phased By Fe-Sad (pdb code 8cnz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Mmlare-[4FE-4S] Phased By Fe-Sad, PDB code: 8cnz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:100.1 occ:1.00 FE2 A:SF4301 2.7 80.4 1.0 NZ A:LYS100 3.4 113.5 1.0 S1 A:SF4301 3.6 80.6 1.0 CE A:LYS100 4.1 111.4 1.0 S3 A:SF4301 4.2 80.5 1.0 S4 A:SF4301 4.6 80.4 1.0 FE4 A:SF4301 4.8 80.2 1.0

Chlorine binding site 2 out of 5 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:79.1 occ:1.00 FE2 B:SF4301 2.7 76.7 1.0 NH2 B:ARG132 3.4 104.3 1.0 S1 B:SF4301 3.4 76.5 1.0 NZ B:LYS100 3.7 85.2 1.0 S3 B:SF4301 4.1 76.7 1.0 CE B:LYS100 4.6 83.9 1.0 FE4 B:SF4301 4.6 76.0 1.0 CZ B:ARG132 4.7 104.3 1.0 S4 B:SF4301 4.8 76.7 1.0 CZ B:PHE57 4.9 101.6 1.0

Chlorine binding site 3 out of 5 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:82.2 occ:1.00 FE2 C:SF4301 3.1 84.4 1.0 S1 C:SF4301 3.7 84.6 1.0 S3 C:SF4301 4.2 84.4 1.0 FE4 C:SF4301 4.7 84.0 1.0 CE C:LYS100 4.8 96.3 1.0 CB C:CYS174 4.9 103.5 1.0 O C:THR173 5.0 108.9 1.0

Chlorine binding site 4 out of 5 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:74.0 occ:1.00 FE2 D:SF4301 3.3 83.0 1.0 S3 D:SF4301 3.9 83.1 1.0 CZ D:PHE57 4.4 118.4 1.0 CE1 D:PHE57 4.6 118.7 1.0 S1 D:SF4301 4.9 83.0 1.0

Chlorine binding site 5 out of 5 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl302 b:76.1 occ:0.80 FE2 E:SF4301 2.9 86.5 1.0 S1 E:SF4301 3.8 86.6 1.0 S3 E:SF4301 3.8 86.3 1.0 NH1 E:ARG132 4.3 127.6 1.0 FE4 E:SF4301 4.6 86.3 1.0 CZ E:PHE57 4.6 123.3 1.0 NH2 E:ARG132 4.8 127.9 1.0 CE1 E:PHE57 5.0 123.5 1.0 CB E:CYS174 5.0 98.4 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