Iron in PDB 9he5: Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)

The structure of Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe), PDB code: 9he5 was solved by D.Wohlwend, S.Gerhardt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	116.66 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	96.246, 64.326, 121.576, 90, 106.35, 90
R / Rfree (%)	16.8 / 19

The structure of Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) also contains other interesting chemical elements:

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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) (pdb code 9he5). 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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe), PDB code: 9he5:
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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:16.9 occ:1.00 FE1 A:FES1001 0.0 16.9 1.0 S2 A:FES1001 2.2 16.7 1.0 S1 A:FES1001 2.2 15.7 1.0 SG A:CYS86 2.3 17.4 1.0 SG A:CYS91 2.3 17.2 1.0 FE2 A:FES1001 2.7 15.8 1.0 CB A:CYS86 3.2 17.2 1.0 CB A:CYS91 3.3 18.5 1.0 N A:CYS91 4.2 19.0 1.0 CA A:CYS91 4.3 19.1 1.0 CA A:CYS127 4.3 17.0 1.0 N A:LEU128 4.4 16.4 1.0 SG A:CYS127 4.5 16.9 1.0 CA A:CYS86 4.6 17.8 1.0 CG2 A:VAL136 4.7 18.1 1.0 SG A:CYS131 4.7 16.3 1.0 CB A:VAL136 4.7 17.8 1.0 CB A:CYS127 4.7 17.2 1.0 CB A:SER88 4.8 19.2 1.0 CA A:CYS131 4.8 16.0 1.0 C A:CYS127 4.9 16.9 1.0 N A:SER88 5.0 18.2 1.0

Iron binding site 2 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:15.8 occ:1.00 FE2 A:FES1001 0.0 15.8 1.0 S1 A:FES1001 2.2 15.7 1.0 S2 A:FES1001 2.2 16.7 1.0 SG A:CYS131 2.3 16.3 1.0 SG A:CYS127 2.3 16.9 1.0 FE1 A:FES1001 2.7 16.9 1.0 CB A:CYS131 3.4 15.9 1.0 CB A:CYS127 3.4 17.2 1.0 CA A:CYS127 3.8 17.0 1.0 CA A:CYS131 3.8 16.0 1.0 N A:GLY129 4.0 16.0 1.0 N A:LEU128 4.0 16.4 1.0 N A:CYS131 4.0 15.7 1.0 N B:GLY99 4.2 15.1 1.0 C A:CYS127 4.3 16.9 1.0 SG A:CYS86 4.3 17.4 1.0 N A:ALA130 4.3 16.2 1.0 CA A:GLY129 4.6 16.0 1.0 CD A:PRO90 4.6 18.3 1.0 SG A:CYS91 4.6 17.2 1.0 O A:ILE89 4.7 18.1 1.0 C A:ALA130 4.8 15.9 1.0 C A:LEU128 4.9 16.7 1.0 CA B:GLY99 4.9 15.1 1.0 C A:GLY129 5.0 16.6 1.0

Iron binding site 3 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:17.2 occ:1.00 FE1 B:SF41002 0.0 17.2 1.0 SG B:CYS347 2.3 19.7 1.0 S2 B:SF41002 2.3 19.2 1.0 S4 B:SF41002 2.3 17.3 1.0 S3 B:SF41002 2.3 17.0 1.0 FE4 B:SF41002 2.7 17.6 1.0 FE3 B:SF41002 2.7 16.9 1.0 FE2 B:SF41002 2.8 16.5 1.0 CB B:CYS347 3.4 18.2 1.0 N B:CYS347 3.7 17.1 1.0 S1 B:SF41002 3.9 18.1 1.0 N B:GLY348 3.9 19.8 1.0 CA B:CYS347 3.9 18.3 1.0 N B:GLN349 4.2 21.0 1.0 C B:CYS347 4.2 18.3 1.0 CB B:GLN349 4.4 23.4 1.0 CD B:PRO199 4.4 18.8 1.0 NE2 B:GLN349 4.5 25.5 1.0 OG1 B:THR346 4.5 17.9 1.0 CG B:PRO199 4.6 18.6 1.0 SG B:CYS393 4.7 17.6 1.0 SG B:CYS350 4.7 20.7 1.0 C B:THR346 4.8 16.9 1.0 CG B:GLN349 4.8 27.1 1.0 CA B:GLN349 4.9 22.1 1.0 SG B:CYS353 4.9 16.1 1.0 N B:CYS350 4.9 19.4 1.0 CA B:GLY348 4.9 20.8 1.0 CG1 B:ILE181 5.0 17.4 1.0

Iron binding site 4 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:16.5 occ:1.00 FE2 B:SF41002 0.0 16.5 1.0 S1 B:SF41002 2.3 18.1 1.0 S4 B:SF41002 2.3 17.3 1.0 S3 B:SF41002 2.3 17.0 1.0 SG B:CYS353 2.3 16.1 1.0 FE4 B:SF41002 2.7 17.6 1.0 FE3 B:SF41002 2.7 16.9 1.0 FE1 B:SF41002 2.8 17.2 1.0 CB B:CYS353 3.1 16.6 1.0 OG1 B:THR346 3.7 17.9 1.0 S2 B:SF41002 3.9 19.2 1.0 N B:GLY396 4.1 21.7 1.0 CD2 B:LEU395 4.2 19.4 1.0 CA B:GLY396 4.4 21.0 1.0 CB B:THR346 4.5 17.2 1.0 CA B:CYS353 4.6 17.1 1.0 CB B:LEU395 4.6 20.2 1.0 N B:CYS347 4.7 17.1 1.0 SG B:CYS350 4.7 20.7 1.0 SG B:CYS393 4.7 17.6 1.0 CA B:THR346 4.8 16.6 1.0 CB B:CYS350 4.9 19.5 1.0 SG B:CYS347 4.9 19.7 1.0 C B:LEU395 5.0 20.8 1.0 N B:GLY348 5.0 19.8 1.0 CG B:LEU395 5.0 19.1 1.0

Iron binding site 5 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:16.9 occ:1.00 FE3 B:SF41002 0.0 16.9 1.0 SG B:CYS393 2.3 17.6 1.0 S4 B:SF41002 2.3 17.3 1.0 S1 B:SF41002 2.3 18.1 1.0 S2 B:SF41002 2.3 19.2 1.0 FE1 B:SF41002 2.7 17.2 1.0 FE2 B:SF41002 2.7 16.5 1.0 FE4 B:SF41002 2.8 17.6 1.0 CB B:CYS393 3.4 18.6 1.0 N B:CYS393 3.9 19.4 1.0 S3 B:SF41002 3.9 17.0 1.0 CA B:CYS393 4.0 19.2 1.0 CG B:PRO199 4.2 18.6 1.0 CB B:LEU395 4.3 20.2 1.0 C B:CYS393 4.3 20.0 1.0 O B:CYS393 4.4 20.7 1.0 CD1 B:ILE181 4.4 17.8 1.0 N B:GLY396 4.5 21.7 1.0 N B:LEU395 4.6 20.6 1.0 SG B:CYS347 4.7 19.7 1.0 CB B:PRO199 4.8 18.7 1.0 C B:ILE392 4.9 22.0 1.0 SG B:CYS353 4.9 16.1 1.0 CD B:PRO199 4.9 18.8 1.0 CA B:LEU395 4.9 20.4 1.0 SG B:CYS350 4.9 20.7 1.0

Iron binding site 6 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1002 b:17.6 occ:1.00 FE4 B:SF41002 0.0 17.6 1.0 S3 B:SF41002 2.3 17.0 1.0 S1 B:SF41002 2.3 18.1 1.0 S2 B:SF41002 2.3 19.2 1.0 SG B:CYS350 2.3 20.7 1.0 FE2 B:SF41002 2.7 16.5 1.0 FE1 B:SF41002 2.7 17.2 1.0 FE3 B:SF41002 2.8 16.9 1.0 CB B:CYS350 3.3 19.5 1.0 S4 B:SF41002 3.9 17.3 1.0 N B:CYS350 3.9 19.4 1.0 N B:ILE392 4.1 21.1 1.0 CA B:CYS350 4.2 19.0 1.0 CG1 B:ILE392 4.2 24.5 1.0 CB B:CYS353 4.4 16.6 1.0 CB B:GLN349 4.4 23.4 1.0 SG B:CYS353 4.6 16.1 1.0 SG B:CYS347 4.6 19.7 1.0 N B:CYS393 4.6 19.4 1.0 CA B:SER391 4.6 20.3 1.0 C B:GLN349 4.8 20.5 1.0 CB B:SER391 4.8 21.3 1.0 N B:GLN349 4.9 21.0 1.0 SG B:CYS393 4.9 17.6 1.0 C B:SER391 4.9 21.0 1.0 CA B:ILE392 5.0 22.3 1.0 CA B:GLN349 5.0 22.1 1.0

Iron binding site 7 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1001 b:31.4 occ:1.00 FE1 C:FES1001 0.0 31.4 1.0 S2 C:FES1001 2.2 32.5 1.0 S1 C:FES1001 2.2 30.8 1.0 SG C:CYS91 2.3 33.2 1.0 SG C:CYS86 2.3 31.8 1.0 FE2 C:FES1001 2.7 27.3 1.0 CB C:CYS86 3.3 32.8 1.0 CB C:CYS91 3.3 33.1 1.0 N C:CYS91 4.2 33.0 1.0 CA C:CYS127 4.3 28.0 1.0 CA C:CYS91 4.3 34.0 1.0 N C:LEU128 4.3 26.0 1.0 SG C:CYS127 4.5 28.2 1.0 CG2 C:VAL136 4.7 34.0 1.0 CA C:CYS86 4.7 32.6 1.0 CB C:CYS127 4.7 28.2 1.0 SG C:CYS131 4.7 29.2 1.0 CB C:VAL136 4.7 34.5 1.0 CA C:CYS131 4.8 29.6 1.0 CB C:SER88 4.8 32.4 1.0 C C:CYS127 4.9 26.6 1.0

Iron binding site 8 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1001 b:27.3 occ:1.00 FE2 C:FES1001 0.0 27.3 1.0 S1 C:FES1001 2.2 30.8 1.0 S2 C:FES1001 2.2 32.5 1.0 SG C:CYS131 2.3 29.2 1.0 SG C:CYS127 2.3 28.2 1.0 FE1 C:FES1001 2.7 31.4 1.0 CB C:CYS127 3.4 28.2 1.0 CB C:CYS131 3.4 28.5 1.0 CA C:CYS127 3.8 28.0 1.0 CA C:CYS131 3.8 29.6 1.0 N C:GLY129 4.0 26.3 1.0 N C:CYS131 4.0 29.2 1.0 N C:LEU128 4.0 26.0 1.0 N D:GLY99 4.3 26.7 1.0 C C:CYS127 4.3 26.6 1.0 N C:ALA130 4.3 29.3 1.0 SG C:CYS86 4.3 31.8 1.0 CD C:PRO90 4.5 34.3 1.0 CA C:GLY129 4.5 27.1 1.0 SG C:CYS91 4.6 33.2 1.0 O C:ILE89 4.8 32.8 1.0 C C:ALA130 4.8 31.2 1.0 C C:LEU128 4.9 26.9 1.0 C C:GLY129 5.0 29.6 1.0 CA D:GLY99 5.0 27.3 1.0 CA C:LEU128 5.0 27.5 1.0

Iron binding site 9 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1002 b:21.2 occ:1.00 FE1 D:SF41002 0.0 21.2 1.0 SG D:CYS347 2.2 22.4 1.0 S4 D:SF41002 2.3 20.3 1.0 S3 D:SF41002 2.3 21.3 1.0 S2 D:SF41002 2.3 21.4 1.0 FE4 D:SF41002 2.7 19.8 1.0 FE3 D:SF41002 2.7 19.0 1.0 FE2 D:SF41002 2.7 19.9 1.0 CB D:CYS347 3.4 23.0 1.0 N D:CYS347 3.6 21.9 1.0 S1 D:SF41002 3.9 21.4 1.0 CA D:CYS347 3.9 22.7 1.0 N D:GLY348 3.9 22.8 1.0 N D:GLN349 4.2 22.4 1.0 C D:CYS347 4.2 22.3 1.0 CD D:PRO199 4.4 20.6 1.0 CB D:GLN349 4.4 25.7 1.0 OG1 D:THR346 4.5 22.3 1.0 NE2 D:GLN349 4.5 29.5 1.0 CG D:PRO199 4.7 20.8 1.0 SG D:CYS393 4.7 19.6 1.0 SG D:CYS350 4.7 19.8 1.0 C D:THR346 4.8 22.8 1.0 SG D:CYS353 4.8 19.9 1.0 N D:CYS350 4.9 20.7 1.0 CA D:GLN349 4.9 23.2 1.0 CG D:GLN349 4.9 28.3 1.0 CA D:GLY348 5.0 24.3 1.0

Iron binding site 10 out of 12 in the Crystal Structure of the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe)


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 the Oxidized Respiratory Complex I Subunit Nuoef From Aquifex Aeolicus, Mutation V90P(Nuoe) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1002 b:19.9 occ:1.00 FE2 D:SF41002 0.0 19.9 1.0 S4 D:SF41002 2.3 20.3 1.0 S1 D:SF41002 2.3 21.4 1.0 SG D:CYS353 2.3 19.9 1.0 S3 D:SF41002 2.3 21.3 1.0 FE4 D:SF41002 2.7 19.8 1.0 FE3 D:SF41002 2.7 19.0 1.0 FE1 D:SF41002 2.7 21.2 1.0 CB D:CYS353 3.2 20.1 1.0 OG1 D:THR346 3.6 22.3 1.0 S2 D:SF41002 3.9 21.4 1.0 N D:GLY396 4.2 23.8 1.0 CD2 D:LEU395 4.2 22.4 1.0 CB D:THR346 4.5 22.8 1.0 CA D:GLY396 4.5 23.9 1.0 CB D:LEU395 4.5 22.1 1.0 CA D:CYS353 4.6 19.6 1.0 N D:CYS347 4.6 21.9 1.0 CA D:THR346 4.7 21.9 1.0 SG D:CYS350 4.7 19.8 1.0 SG D:CYS393 4.7 19.6 1.0 SG D:CYS347 4.8 22.4 1.0 CG D:LEU395 4.9 22.9 1.0 CB D:CYS350 4.9 21.5 1.0 N D:GLY348 5.0 22.8 1.0 C D:LEU395 5.0 22.6 1.0

D.Wohlwend, E.Gnandt, M.Vranas, S.Gerhardt, T.Friedrich. Structural Changes Shifting the Redox Potential of the Outlying Cluster N1A in Respiratory Complex I To Be Published.