Iron in PDB 6r7p: Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M

The structure of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M, PDB code: 6r7p was solved by D.Wohlwend, E.Gnandt, T.Friedrich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.73 / 3.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.410, 114.640, 187.870, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.7

The structure of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M (pdb code 6r7p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M, PDB code: 6r7p:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:33.6 occ:1.00 FE1 A:FES200 0.0 33.6 1.0 S1 A:FES200 2.2 37.0 1.0 S2 A:FES200 2.2 36.0 1.0 SG A:CYS91 2.3 57.0 1.0 SG A:CYS86 2.3 56.3 1.0 FE2 A:FES200 2.7 35.9 1.0 CB A:CYS91 3.3 57.5 1.0 CB A:CYS86 3.5 55.4 1.0 N A:CYS91 3.9 57.6 1.0 CA A:CYS127 4.1 53.2 1.0 CA A:CYS91 4.2 59.3 1.0 N A:LEU128 4.3 48.1 1.0 CB A:CYS127 4.5 56.9 1.0 SG A:CYS127 4.5 58.4 1.0 SG A:CYS131 4.6 53.5 1.0 CA A:CYS131 4.6 48.9 1.0 CB A:SER88 4.7 50.4 1.0 C A:CYS127 4.8 51.3 1.0 CA A:CYS86 4.8 55.0 1.0 CB A:VAL136 4.9 36.8 1.0 CG2 A:VAL136 4.9 38.3 1.0 CB A:VAL90 5.0 55.3 1.0 N A:CYS131 5.0 47.4 1.0 CB A:CYS131 5.0 52.3 1.0

Iron binding site 2 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:35.9 occ:1.00 FE2 A:FES200 0.0 35.9 1.0 S2 A:FES200 2.2 36.0 1.0 S1 A:FES200 2.2 37.0 1.0 SG A:CYS131 2.3 53.5 1.0 SG A:CYS127 2.3 58.4 1.0 FE1 A:FES200 2.7 33.6 1.0 CB A:CYS127 3.2 56.9 1.0 CB A:CYS131 3.5 52.3 1.0 CA A:CYS127 3.6 53.2 1.0 CA A:CYS131 3.8 48.9 1.0 N A:CYS131 3.9 47.4 1.0 N A:LEU128 4.0 48.1 1.0 N A:GLY129 4.1 47.4 1.0 N B:GLY99 4.1 50.4 1.0 C A:CYS127 4.2 51.3 1.0 SG A:CYS86 4.4 56.3 1.0 N A:ALA130 4.5 46.0 1.0 CA A:GLY129 4.6 49.2 1.0 CA B:PRO98 4.7 55.0 1.0 SG A:CYS91 4.8 57.0 1.0 C A:ALA130 4.8 45.5 1.0 CG2 A:VAL90 4.9 53.7 1.0 CB A:VAL90 4.9 55.3 1.0 CA B:GLY99 4.9 48.5 1.0 C B:PRO98 5.0 52.5 1.0 N A:CYS127 5.0 54.2 1.0

Iron binding site 3 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:80.5 occ:1.00 FE1 B:SF4501 0.0 80.5 1.0 S2 B:SF4501 2.3 80.2 1.0 S3 B:SF4501 2.3 85.5 1.0 S4 B:SF4501 2.3 84.2 1.0 SG B:CYS347 2.4 1.0 1.0 FE3 B:SF4501 2.8 80.9 1.0 FE2 B:SF4501 2.8 81.6 1.0 FE4 B:SF4501 2.8 77.2 1.0 CB B:CYS347 3.6 0.1 1.0 N B:CYS347 3.7 0.4 1.0 S1 B:SF4501 4.0 84.2 1.0 CA B:CYS347 4.1 0.4 1.0 N B:GLY348 4.2 0.5 1.0 CD B:PRO199 4.4 76.8 1.0 C B:CYS347 4.4 0.1 1.0 CB B:GLN349 4.4 0.7 1.0 N B:GLN349 4.4 0.6 1.0 CG B:PRO199 4.6 75.4 1.0 CG1 B:ILE181 4.6 81.2 1.0 CD1 B:ILE181 4.6 81.0 1.0 OG1 B:THR346 4.7 0.3 1.0 NE2 B:GLN349 4.8 0.6 1.0 C B:THR346 4.8 0.2 1.0 CG B:GLN349 4.9 0.3 1.0 SG B:CYS350 4.9 0.1 1.0 SG B:CYS393 4.9 0.5 1.0 SG B:CYS353 5.0 0.0 1.0

Iron binding site 4 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:81.6 occ:1.00 FE2 B:SF4501 0.0 81.6 1.0 SG B:CYS353 2.3 0.0 1.0 S4 B:SF4501 2.3 84.2 1.0 S1 B:SF4501 2.3 84.2 1.0 S3 B:SF4501 2.3 85.5 1.0 FE3 B:SF4501 2.8 80.9 1.0 FE1 B:SF4501 2.8 80.5 1.0 FE4 B:SF4501 2.8 77.2 1.0 CB B:CYS353 3.2 0.1 1.0 OG1 B:THR346 3.6 0.3 1.0 S2 B:SF4501 4.0 80.2 1.0 CD2 B:LEU395 4.2 90.0 1.0 N B:GLY396 4.2 90.1 1.0 CB B:THR346 4.4 99.7 1.0 CA B:THR346 4.5 100.0 1.0 CA B:GLY396 4.5 90.0 1.0 N B:CYS347 4.6 0.4 1.0 CA B:CYS353 4.6 0.8 1.0 CB B:LEU395 4.6 90.8 1.0 CB B:CYS350 4.8 0.8 1.0 SG B:CYS350 4.8 0.1 1.0 C B:CYS353 4.9 0.9 1.0 CG B:LEU395 5.0 89.5 1.0

Iron binding site 5 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:80.9 occ:1.00 FE3 B:SF4501 0.0 80.9 1.0 S1 B:SF4501 2.3 84.2 1.0 S4 B:SF4501 2.3 84.2 1.0 S2 B:SF4501 2.3 80.2 1.0 SG B:CYS393 2.4 0.5 1.0 FE2 B:SF4501 2.8 81.6 1.0 FE1 B:SF4501 2.8 80.5 1.0 FE4 B:SF4501 2.8 77.2 1.0 CB B:CYS393 3.6 0.5 1.0 S3 B:SF4501 4.0 85.5 1.0 CD1 B:ILE181 4.0 81.0 1.0 CB B:LEU395 4.0 90.8 1.0 CA B:CYS393 4.3 0.7 1.0 O B:CYS393 4.3 0.7 1.0 N B:CYS393 4.3 0.7 1.0 C B:CYS393 4.4 0.5 1.0 N B:GLY396 4.4 90.1 1.0 CG B:PRO199 4.5 75.4 1.0 N B:LEU395 4.6 92.4 1.0 CA B:LEU395 4.8 90.1 1.0 CG1 B:ILE181 4.8 81.2 1.0 SG B:CYS353 4.9 0.0 1.0 SG B:CYS347 4.9 1.0 1.0

Iron binding site 6 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:77.2 occ:1.00 FE4 B:SF4501 0.0 77.2 1.0 S2 B:SF4501 2.3 80.2 1.0 S3 B:SF4501 2.3 85.5 1.0 S1 B:SF4501 2.3 84.2 1.0 SG B:CYS350 2.4 0.1 1.0 FE3 B:SF4501 2.8 80.9 1.0 FE1 B:SF4501 2.8 80.5 1.0 FE2 B:SF4501 2.8 81.6 1.0 CB B:CYS350 3.3 0.8 1.0 N B:CYS350 4.0 0.3 1.0 S4 B:SF4501 4.0 84.2 1.0 N B:ILE392 4.1 0.9 1.0 CG1 B:ILE392 4.2 0.6 1.0 CA B:CYS350 4.2 0.2 1.0 CB B:GLN349 4.4 0.7 1.0 CA B:SER391 4.4 99.9 1.0 CB B:CYS353 4.5 0.1 1.0 CB B:SER391 4.6 96.6 1.0 SG B:CYS353 4.7 0.0 1.0 C B:SER391 4.8 0.4 1.0 CD1 B:ILE392 4.8 0.7 1.0 SG B:CYS347 4.9 1.0 1.0 SG B:CYS393 4.9 0.5 1.0 C B:GLN349 4.9 0.9 1.0 N B:CYS393 5.0 0.7 1.0

Iron binding site 7 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:33.0 occ:1.00 FE1 C:FES201 0.0 33.0 1.0 S2 C:FES201 2.2 36.8 1.0 S1 C:FES201 2.2 36.0 1.0 SG C:CYS86 2.3 70.7 1.0 SG C:CYS91 2.3 60.3 1.0 FE2 C:FES201 2.7 34.3 1.0 CB C:CYS91 3.1 59.8 1.0 CB C:CYS86 3.5 68.5 1.0 N C:CYS91 3.7 61.3 1.0 CA C:CYS91 3.9 61.4 1.0 CA C:CYS127 4.2 55.0 1.0 SG C:CYS127 4.5 56.9 1.0 N C:LEU128 4.6 52.0 1.0 CB C:SER88 4.6 73.5 1.0 CB C:CYS127 4.6 56.8 1.0 CA C:CYS131 4.7 51.1 1.0 SG C:CYS131 4.7 55.3 1.0 CG2 C:VAL136 4.7 43.8 1.0 CA C:CYS86 4.8 70.1 1.0 C C:VAL90 4.8 73.5 1.0 CB C:VAL90 4.9 70.8 1.0 O C:SER88 4.9 77.2 1.0 C C:CYS127 5.0 53.8 1.0 N C:SER88 5.0 75.8 1.0

Iron binding site 8 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:34.3 occ:1.00 FE2 C:FES201 0.0 34.3 1.0 S1 C:FES201 2.2 36.0 1.0 S2 C:FES201 2.2 36.8 1.0 SG C:CYS127 2.3 56.9 1.0 SG C:CYS131 2.3 55.3 1.0 FE1 C:FES201 2.7 33.0 1.0 CB C:CYS127 3.2 56.8 1.0 CB C:CYS131 3.4 53.6 1.0 CA C:CYS127 3.7 55.0 1.0 CA C:CYS131 3.7 51.1 1.0 N C:CYS131 3.9 50.4 1.0 N D:GLY99 4.1 49.7 1.0 N C:LEU128 4.2 52.0 1.0 C C:CYS127 4.3 53.8 1.0 SG C:CYS86 4.3 70.7 1.0 N C:GLY129 4.3 51.8 1.0 N C:ALA130 4.5 50.2 1.0 CB C:VAL90 4.8 70.8 1.0 SG C:CYS91 4.8 60.3 1.0 CA D:GLY99 4.8 48.7 1.0 CA D:PRO98 4.8 52.9 1.0 C C:ALA130 4.8 49.4 1.0 CA C:GLY129 4.9 52.2 1.0 N C:CYS127 5.0 56.2 1.0 CG2 C:VAL90 5.0 71.9 1.0 C D:PRO98 5.0 51.3 1.0

Iron binding site 9 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:84.2 occ:1.00 FE1 D:SF4501 0.0 84.2 1.0 S4 D:SF4501 2.3 86.3 1.0 S3 D:SF4501 2.3 90.0 1.0 S2 D:SF4501 2.3 85.5 1.0 SG D:CYS347 2.4 0.5 1.0 FE2 D:SF4501 2.8 82.2 1.0 FE3 D:SF4501 2.8 82.3 1.0 FE4 D:SF4501 2.8 85.6 1.0 N D:CYS347 3.8 0.7 1.0 CB D:CYS347 3.8 0.8 1.0 S1 D:SF4501 4.0 85.9 1.0 N D:GLY348 4.1 0.2 1.0 N D:GLN349 4.2 0.3 1.0 CA D:CYS347 4.2 0.9 1.0 CB D:GLN349 4.2 0.3 1.0 CD D:PRO199 4.3 77.9 1.0 CG D:PRO199 4.4 76.4 1.0 OG1 D:THR346 4.5 0.8 1.0 C D:CYS347 4.5 0.1 1.0 CA D:GLN349 4.8 0.4 1.0 SG D:CYS350 4.8 0.7 1.0 CG1 D:ILE181 4.8 81.3 1.0 C D:THR346 4.8 0.7 1.0 N D:CYS350 4.8 0.6 1.0 SG D:CYS393 4.9 0.6 1.0 SG D:CYS353 5.0 0.7 1.0 CD1 D:ILE181 5.0 81.0 1.0

Iron binding site 10 out of 12 in the Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Oxidized Aquifex Aeolicus Nadh-Quinone Oxidoreductase Subunits Nuoe and Nuof S96M within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:82.2 occ:1.00 FE2 D:SF4501 0.0 82.2 1.0 S3 D:SF4501 2.3 90.0 1.0 SG D:CYS353 2.3 0.7 1.0 S1 D:SF4501 2.3 85.9 1.0 S4 D:SF4501 2.3 86.3 1.0 FE1 D:SF4501 2.8 84.2 1.0 FE4 D:SF4501 2.8 85.6 1.0 FE3 D:SF4501 2.8 82.3 1.0 CB D:CYS353 3.1 0.7 1.0 OG1 D:THR346 3.6 0.8 1.0 S2 D:SF4501 4.0 85.5 1.0 N D:GLY396 4.3 92.0 1.0 CD2 D:LEU395 4.3 90.6 1.0 CB D:THR346 4.5 0.5 1.0 CA D:GLY396 4.5 92.9 1.0 CA D:CYS353 4.5 0.2 1.0 CA D:THR346 4.6 0.4 1.0 CB D:LEU395 4.7 89.8 1.0 N D:CYS347 4.8 0.7 1.0 C D:CYS353 4.9 0.7 1.0 SG D:CYS393 4.9 0.6 1.0 SG D:CYS350 4.9 0.7 1.0

M.Schulte, K.Frick, E.Gnandt, S.Jurkovic, S.Burschel, R.Labatzke, K.Aierstock, D.Fiegen, D.Wohlwend, S.Gerhardt, O.Einsle, T.Friedrich. A Mechanism to Prevent Production of Reactive Oxygen Species By Escherichia Coli Respiratory Complex I. Nat Commun V. 10 2551 2019.
ISSN: ESSN 2041-1723
PubMed: 31186428
DOI: 10.1038/S41467-019-10429-0