Iron 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:

Iodine	(I)	4 atoms
Chlorine	(Cl)	5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iron atom in the Mmlare-[4FE-4S] Phased By Fe-Sad (pdb code 8cnz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 28 binding sites of Iron where determined in the Mmlare-[4FE-4S] Phased By Fe-Sad, PDB code: 8cnz:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:80.5 occ:1.00 FE1 A:SF4301 0.0 80.5 1.0 SG A:CYS99 2.3 106.0 1.0 S2 A:SF4301 2.3 80.7 1.0 S3 A:SF4301 2.3 80.5 1.0 S4 A:SF4301 2.3 80.4 1.0 FE4 A:SF4301 2.7 80.2 1.0 FE2 A:SF4301 2.7 80.4 1.0 FE3 A:SF4301 2.7 80.6 1.0 CB A:CYS99 3.1 104.0 1.0 CD2 A:PHE56 3.9 104.3 1.0 S1 A:SF4301 3.9 80.6 1.0 CE2 A:PHE56 4.0 104.9 1.0 CA A:CYS96 4.4 120.8 1.0 CA A:CYS99 4.4 103.6 1.0 SG A:CYS174 4.5 95.9 1.0 O A:ARG95 4.6 122.8 1.0 CG A:LYS100 4.6 104.8 1.0 O A:CYS96 4.6 119.2 1.0 ND2 A:ASN54 4.6 106.2 1.0 N A:LYS100 4.7 100.9 1.0 C A:CYS99 4.7 102.2 1.0 SG A:CYS96 4.9 126.4 1.0 C A:CYS96 4.9 119.2 1.0 CB A:CYS96 5.0 122.0 1.0

Iron binding site 2 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:80.4 occ:1.00 FE2 A:SF4301 0.0 80.4 1.0 S1 A:SF4301 2.3 80.6 1.0 S4 A:SF4301 2.3 80.4 1.0 S3 A:SF4301 2.3 80.5 1.0 CL A:CL303 2.7 100.1 1.0 FE3 A:SF4301 2.7 80.6 1.0 FE1 A:SF4301 2.7 80.5 1.0 FE4 A:SF4301 2.8 80.2 1.0 NZ A:LYS100 3.5 113.5 1.0 S2 A:SF4301 3.9 80.7 1.0 CE A:LYS100 4.0 111.4 1.0 CB A:CYS174 4.5 98.0 1.0 SG A:CYS99 4.6 106.0 1.0 CG A:LYS100 4.6 104.8 1.0 SG A:CYS174 4.6 95.9 1.0 CD A:LYS100 4.9 108.2 1.0 SG A:CYS96 4.9 126.4 1.0

Iron binding site 3 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:80.6 occ:1.00 FE3 A:SF4301 0.0 80.6 1.0 S4 A:SF4301 2.3 80.4 1.0 S1 A:SF4301 2.3 80.6 1.0 S2 A:SF4301 2.3 80.7 1.0 SG A:CYS96 2.3 126.4 1.0 FE2 A:SF4301 2.7 80.4 1.0 FE1 A:SF4301 2.7 80.5 1.0 FE4 A:SF4301 2.8 80.2 1.0 CB A:CYS96 2.9 122.0 1.0 CA A:CYS96 3.1 120.8 1.0 S3 A:SF4301 3.9 80.5 1.0 N A:CYS96 4.1 121.5 1.0 O A:CYS96 4.1 119.2 1.0 C A:CYS96 4.2 119.2 1.0 CD A:ARG95 4.7 125.7 1.0 O A:ARG95 4.7 122.8 1.0 SG A:CYS174 4.8 95.9 1.0 C A:ARG95 4.8 122.7 1.0 SG A:CYS99 4.8 106.0 1.0 NH2 A:ARG95 4.8 126.7 1.0 NE A:ARG95 5.0 126.3 1.0 CB A:CYS99 5.0 104.0 1.0

Iron binding site 4 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:80.2 occ:1.00 FE4 A:SF4301 0.0 80.2 1.0 SG A:CYS174 2.1 95.9 1.0 S3 A:SF4301 2.3 80.5 1.0 S2 A:SF4301 2.3 80.7 1.0 S1 A:SF4301 2.3 80.6 1.0 FE1 A:SF4301 2.7 80.5 1.0 FE2 A:SF4301 2.8 80.4 1.0 FE3 A:SF4301 2.8 80.6 1.0 CB A:CYS174 2.8 98.0 1.0 S4 A:SF4301 3.9 80.4 1.0 CD2 A:PHE56 4.2 104.3 1.0 CA A:CYS174 4.3 99.1 1.0 CG2 A:THR177 4.5 86.7 1.0 SG A:CYS96 4.6 126.4 1.0 CB A:ALA176 4.7 88.9 1.0 CE2 A:PHE56 4.7 104.9 1.0 CL A:CL303 4.8 100.1 1.0 SG A:CYS99 4.8 106.0 1.0 CG A:PHE56 4.8 103.7 1.0 CB A:PHE56 5.0 103.5 1.0 C A:CYS174 5.0 96.8 1.0

Iron binding site 5 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:76.4 occ:1.00 FE1 B:SF4301 0.0 76.4 1.0 S4 B:SF4301 2.3 76.7 1.0 S2 B:SF4301 2.3 76.6 1.0 SG B:CYS99 2.3 78.4 1.0 S3 B:SF4301 2.3 76.7 1.0 FE3 B:SF4301 2.7 76.7 1.0 FE2 B:SF4301 2.7 76.7 1.0 FE4 B:SF4301 2.8 76.0 1.0 CB B:CYS99 3.1 77.4 1.0 CD2 B:PHE56 3.9 91.2 1.0 S1 B:SF4301 3.9 76.5 1.0 CE2 B:PHE56 4.0 91.8 1.0 CA B:CYS96 4.4 87.0 1.0 CA B:CYS99 4.5 77.5 1.0 SG B:CYS96 4.5 89.3 1.0 O B:CYS96 4.6 85.7 1.0 NZ B:LYS100 4.6 85.2 1.0 SG B:CYS174 4.6 95.4 1.0 O B:ARG95 4.7 89.8 1.0 N B:LYS100 4.9 75.9 1.0 CG B:LYS100 4.9 79.1 1.0 C B:CYS99 4.9 76.5 1.0

Iron binding site 6 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:76.7 occ:1.00 FE2 B:SF4301 0.0 76.7 1.0 S3 B:SF4301 2.3 76.7 1.0 S1 B:SF4301 2.3 76.5 1.0 S4 B:SF4301 2.3 76.7 1.0 FE3 B:SF4301 2.7 76.7 1.0 FE4 B:SF4301 2.7 76.0 1.0 CL B:CL303 2.7 79.1 1.0 FE1 B:SF4301 2.7 76.4 1.0 NH2 B:ARG132 3.2 104.3 1.0 NZ B:LYS100 3.2 85.2 1.0 S2 B:SF4301 3.9 76.6 1.0 CE B:LYS100 4.2 83.9 1.0 CZ B:ARG132 4.4 104.3 1.0 SG B:CYS99 4.5 78.4 1.0 SG B:CYS96 4.8 89.3 1.0 CB B:CYS174 4.8 94.9 1.0 SG B:CYS174 4.9 95.4 1.0 CG B:LYS100 4.9 79.1 1.0 CZ B:PHE57 4.9 101.6 1.0

Iron binding site 7 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:76.7 occ:1.00 FE3 B:SF4301 0.0 76.7 1.0 S4 B:SF4301 2.3 76.7 1.0 S2 B:SF4301 2.3 76.6 1.0 SG B:CYS96 2.3 89.3 1.0 S1 B:SF4301 2.3 76.5 1.0 FE1 B:SF4301 2.7 76.4 1.0 FE2 B:SF4301 2.7 76.7 1.0 FE4 B:SF4301 2.7 76.0 1.0 CB B:CYS96 3.6 87.3 1.0 CA B:CYS96 3.9 87.0 1.0 S3 B:SF4301 3.9 76.7 1.0 NH2 B:ARG132 4.1 104.3 1.0 NH1 B:ARG95 4.1 96.7 1.0 CD B:ARG95 4.5 94.2 1.0 SG B:CYS174 4.7 95.4 1.0 N B:CYS96 4.7 88.2 1.0 CZ B:ARG132 4.7 104.3 1.0 NE B:ARG132 4.7 103.5 1.0 CZ B:ARG95 4.8 97.4 1.0 SG B:CYS99 4.9 78.4 1.0 NE B:ARG95 4.9 95.7 1.0 C B:CYS96 4.9 85.8 1.0 O B:CYS96 5.0 85.7 1.0

Iron binding site 8 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:76.0 occ:1.00 FE4 B:SF4301 0.0 76.0 1.0 SG B:CYS174 2.2 95.4 1.0 S1 B:SF4301 2.3 76.5 1.0 S3 B:SF4301 2.3 76.7 1.0 S2 B:SF4301 2.3 76.6 1.0 FE2 B:SF4301 2.7 76.7 1.0 FE3 B:SF4301 2.7 76.7 1.0 FE1 B:SF4301 2.8 76.4 1.0 CB B:CYS174 2.8 94.9 1.0 S4 B:SF4301 3.9 76.7 1.0 CD2 B:PHE56 4.2 91.2 1.0 CA B:CYS174 4.2 95.3 1.0 CZ B:PHE57 4.6 101.6 1.0 CG2 B:THR177 4.6 80.7 1.0 CL B:CL303 4.6 79.1 1.0 CB B:PHE56 4.7 90.2 1.0 CG B:PHE56 4.8 90.6 1.0 SG B:CYS99 4.8 78.4 1.0 CE2 B:PHE56 4.9 91.8 1.0 SG B:CYS96 4.9 89.3 1.0

Iron binding site 9 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:84.6 occ:1.00 FE1 C:SF4301 0.0 84.6 1.0 S3 C:SF4301 2.3 84.4 1.0 S4 C:SF4301 2.3 84.1 1.0 S2 C:SF4301 2.3 84.5 1.0 SG C:CYS99 2.3 95.9 1.0 FE2 C:SF4301 2.7 84.4 1.0 FE3 C:SF4301 2.7 84.3 1.0 FE4 C:SF4301 2.8 84.0 1.0 CB C:CYS99 2.9 94.2 1.0 S1 C:SF4301 3.9 84.6 1.0 CD2 C:PHE56 4.0 101.6 1.0 CE2 C:PHE56 4.3 102.1 1.0 CA C:CYS99 4.3 93.9 1.0 CA C:CYS96 4.4 102.6 1.0 SG C:CYS174 4.5 101.1 1.0 O C:ARG95 4.6 105.3 1.0 SG C:CYS96 4.6 104.0 1.0 CB C:CYS96 4.7 102.5 1.0 ND2 C:ASN54 4.7 100.2 1.0 C C:CYS99 4.8 93.0 1.0 N C:LYS100 4.8 92.3 1.0 CG C:LYS100 4.9 93.5 1.0 O C:CYS96 4.9 101.5 1.0

Iron binding site 10 out of 28 in the Mmlare-[4FE-4S] Phased By Fe-Sad


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Mmlare-[4FE-4S] Phased By Fe-Sad within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:84.4 occ:1.00 FE2 C:SF4301 0.0 84.4 1.0 S4 C:SF4301 2.3 84.1 1.0 S3 C:SF4301 2.3 84.4 1.0 S1 C:SF4301 2.3 84.6 1.0 FE1 C:SF4301 2.7 84.6 1.0 FE3 C:SF4301 2.7 84.3 1.0 FE4 C:SF4301 2.8 84.0 1.0 CL C:CL302 3.1 82.2 1.0 CE C:LYS100 3.7 96.3 1.0 S2 C:SF4301 3.9 84.5 1.0 SG C:CYS99 4.4 95.9 1.0 NZ C:LYS100 4.5 96.2 1.0 CG C:LYS100 4.6 93.5 1.0 CD C:LYS100 4.7 95.2 1.0 CB C:CYS174 4.8 103.5 1.0 SG C:CYS174 4.9 101.1 1.0 SG C:CYS96 4.9 104.0 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