Iron in PDB 6hli: Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+

All present enzymatic activity of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+:
1.6.5.11;

The structure of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+, PDB code: 6hli was solved by S.Gerhardt, T.Friedrich, O.Einsle, E.Gnandt, M.Schulte, D.Fiegen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.30 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.590, 116.040, 189.875, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 23.8

Pages:

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

Binding sites:

The binding sites of Iron atom in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ (pdb code 6hli). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+, PDB code: 6hli:
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 Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:42.3 occ:1.00 FE1 A:FES200 0.0 42.3 1.0 S2 A:FES200 2.2 41.3 1.0 S1 A:FES200 2.2 39.7 1.0 SG A:CYS86 2.3 35.7 1.0 SG A:CYS91 2.5 37.7 1.0 FE2 A:FES200 2.7 40.9 1.0 CB A:CYS86 3.4 31.0 1.0 CB A:CYS91 3.5 34.4 1.0 N A:CYS91 4.0 32.4 1.0 CA A:CYS127 4.1 34.4 1.0 N A:LEU128 4.2 33.3 1.0 CA A:CYS91 4.3 33.9 1.0 SG A:CYS127 4.5 38.3 1.0 CB A:CYS127 4.5 35.3 1.0 C A:CYS127 4.7 36.1 1.0 CB A:VAL136 4.7 37.9 1.0 CG2 A:VAL136 4.7 37.1 1.0 CB A:SER88 4.8 42.5 1.0 CA A:CYS86 4.8 30.7 1.0 SG A:CYS131 4.8 40.1 1.0 N A:CYS127 5.0 35.1 1.0 CA A:CYS131 5.0 37.5 1.0

Iron binding site 2 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:40.9 occ:1.00 FE2 A:FES200 0.0 40.9 1.0 S2 A:FES200 2.2 41.3 1.0 S1 A:FES200 2.2 39.7 1.0 SG A:CYS131 2.3 40.1 1.0 SG A:CYS127 2.4 38.3 1.0 FE1 A:FES200 2.7 42.3 1.0 CB A:CYS131 3.4 37.6 1.0 CB A:CYS127 3.5 35.3 1.0 CA A:CYS131 3.8 37.5 1.0 CA A:CYS127 3.9 34.4 1.0 N A:CYS131 3.9 36.3 1.0 N A:GLY129 4.0 31.1 1.0 N A:LEU128 4.0 33.3 1.0 N B:GLY99 4.2 32.2 1.0 C A:CYS127 4.3 36.1 1.0 N A:ALA130 4.3 34.0 1.0 CA A:GLY129 4.5 30.7 1.0 SG A:CYS86 4.5 35.7 1.0 C A:ALA130 4.7 38.6 1.0 CB A:VAL90 4.8 32.2 1.0 CA B:GLY99 4.8 31.9 1.0 SG A:CYS91 4.9 37.7 1.0 CG2 A:VAL90 4.9 31.4 1.0 C A:LEU128 4.9 34.9 1.0 C A:GLY129 4.9 35.6 1.0 CA B:PRO98 5.0 33.2 1.0

Iron binding site 3 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:44.4 occ:1.00 FE1 B:SF4500 0.0 44.4 1.0 SG B:CYS347 2.2 54.0 1.0 S3 B:SF4500 2.3 46.7 1.0 S4 B:SF4500 2.3 43.6 1.0 S2 B:SF4500 2.3 44.0 1.0 FE2 B:SF4500 2.8 50.7 1.0 FE3 B:SF4500 2.8 48.7 1.0 FE4 B:SF4500 2.8 51.4 1.0 CB B:CYS347 3.5 49.1 1.0 N B:CYS347 3.7 48.8 1.0 S1 B:SF4500 3.9 47.9 1.0 CA B:CYS347 3.9 49.2 1.0 N B:GLY348 4.1 49.0 1.0 CB B:GLN349 4.2 46.1 1.0 N B:GLN349 4.2 46.8 1.0 C B:CYS347 4.3 53.3 1.0 NE2 B:GLN349 4.3 67.3 1.0 CD B:PRO199 4.4 44.2 1.0 CG B:PRO199 4.6 47.5 1.0 SG B:CYS393 4.6 44.1 1.0 OG1 B:THR346 4.7 54.1 1.0 SG B:CYS350 4.7 52.4 1.0 CA B:GLN349 4.8 46.6 1.0 CG1 B:ILE181 4.8 42.0 1.0 C B:THR346 4.8 53.0 1.0 CD1 B:ILE181 4.8 52.0 1.0 CG B:GLN349 4.8 54.5 1.0 N B:CYS350 4.9 50.3 1.0 SG B:CYS353 5.0 43.1 1.0

Iron binding site 4 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:50.7 occ:1.00 FE2 B:SF4500 0.0 50.7 1.0 S4 B:SF4500 2.3 43.6 1.0 S3 B:SF4500 2.3 46.7 1.0 S1 B:SF4500 2.3 47.9 1.0 SG B:CYS353 2.4 43.1 1.0 FE3 B:SF4500 2.8 48.7 1.0 FE1 B:SF4500 2.8 44.4 1.0 FE4 B:SF4500 2.8 51.4 1.0 CB B:CYS353 3.1 40.7 1.0 OG1 B:THR346 3.6 54.1 1.0 S2 B:SF4500 3.9 44.0 1.0 N B:GLY396 4.2 46.9 1.0 CD2 B:LEU395 4.3 60.9 1.0 CA B:GLY396 4.4 47.3 1.0 CB B:LEU395 4.5 50.0 1.0 CA B:CYS353 4.5 42.2 1.0 N B:CYS347 4.5 48.8 1.0 CB B:THR346 4.5 52.0 1.0 CB B:CYS350 4.6 50.2 1.0 SG B:CYS350 4.6 52.4 1.0 CA B:THR346 4.7 47.7 1.0 SG B:CYS347 4.8 54.0 1.0 SG B:CYS393 4.9 44.1 1.0 CG B:LEU395 4.9 55.8 1.0 N B:GLY348 4.9 49.0 1.0 C B:CYS353 5.0 46.2 1.0 C B:LEU395 5.0 51.2 1.0

Iron binding site 5 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:48.7 occ:1.00 FE3 B:SF4500 0.0 48.7 1.0 S1 B:SF4500 2.3 47.9 1.0 S2 B:SF4500 2.3 44.0 1.0 S4 B:SF4500 2.3 43.6 1.0 SG B:CYS393 2.3 44.1 1.0 FE2 B:SF4500 2.8 50.7 1.0 FE1 B:SF4500 2.8 44.4 1.0 FE4 B:SF4500 2.8 51.4 1.0 CB B:CYS393 3.3 41.7 1.0 N B:CYS393 3.8 46.1 1.0 CA B:CYS393 3.8 43.7 1.0 S3 B:SF4500 3.9 46.7 1.0 O B:CYS393 3.9 52.0 1.0 CB B:LEU395 4.0 50.0 1.0 C B:CYS393 4.0 49.5 1.0 N B:GLY396 4.3 46.9 1.0 CD1 B:ILE181 4.3 52.0 1.0 CG B:PRO199 4.4 47.5 1.0 N B:LEU395 4.5 48.1 1.0 CA B:LEU395 4.7 49.2 1.0 SG B:CYS347 4.7 54.0 1.0 SG B:CYS350 4.9 52.4 1.0 C B:ILE392 4.9 54.4 1.0 SG B:CYS353 4.9 43.1 1.0 N B:GLY394 5.0 44.7 1.0 N B:ILE392 5.0 53.5 1.0 C B:LEU395 5.0 51.2 1.0

Iron binding site 6 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:51.4 occ:1.00 FE4 B:SF4500 0.0 51.4 1.0 SG B:CYS350 2.2 52.4 1.0 S2 B:SF4500 2.3 44.0 1.0 S3 B:SF4500 2.3 46.7 1.0 S1 B:SF4500 2.3 47.9 1.0 FE2 B:SF4500 2.8 50.7 1.0 FE1 B:SF4500 2.8 44.4 1.0 FE3 B:SF4500 2.8 48.7 1.0 CB B:CYS350 3.1 50.2 1.0 N B:CYS350 3.8 50.3 1.0 S4 B:SF4500 3.9 43.6 1.0 N B:ILE392 4.0 53.5 1.0 CA B:CYS350 4.1 50.9 1.0 CG1 B:ILE392 4.2 57.8 1.0 CB B:GLN349 4.3 46.1 1.0 CA B:SER391 4.4 52.3 1.0 N B:CYS393 4.5 46.1 1.0 CB B:CYS353 4.5 40.7 1.0 CB B:SER391 4.6 53.9 1.0 SG B:CYS347 4.6 54.0 1.0 C B:GLN349 4.7 53.7 1.0 C B:SER391 4.7 57.0 1.0 SG B:CYS353 4.8 43.1 1.0 N B:GLN349 4.9 46.8 1.0 CA B:GLN349 4.9 46.6 1.0 CA B:ILE392 4.9 53.1 1.0 NE2 B:GLN349 4.9 67.3 1.0 SG B:CYS393 5.0 44.1 1.0

Iron binding site 7 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:38.9 occ:1.00 FE1 C:FES200 0.0 38.9 1.0 S1 C:FES200 2.2 38.0 1.0 S2 C:FES200 2.2 28.6 1.0 SG C:CYS86 2.3 36.4 1.0 SG C:CYS91 2.4 47.3 1.0 FE2 C:FES200 2.7 40.5 1.0 CB C:CYS91 3.2 44.9 1.0 CB C:CYS86 3.5 33.9 1.0 N C:CYS91 3.7 44.7 1.0 CA C:CYS91 4.0 45.5 1.0 CA C:CYS127 4.3 37.5 1.0 N C:LEU128 4.5 40.5 1.0 SG C:CYS127 4.6 40.6 1.0 CB C:CYS127 4.7 37.4 1.0 CB C:SER88 4.7 38.9 1.0 SG C:CYS131 4.7 38.6 1.0 CG2 C:VAL136 4.8 47.5 1.0 C C:VAL90 4.8 46.3 1.0 CB C:VAL136 4.8 48.5 1.0 CA C:CYS86 4.8 36.0 1.0 N C:SER88 4.9 37.5 1.0 O C:SER88 4.9 40.1 1.0 CA C:CYS131 4.9 34.8 1.0 CB C:VAL90 5.0 43.8 1.0 C C:CYS127 5.0 40.3 1.0

Iron binding site 8 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:40.5 occ:1.00 FE2 C:FES200 0.0 40.5 1.0 S2 C:FES200 2.2 28.6 1.0 S1 C:FES200 2.2 38.0 1.0 SG C:CYS131 2.3 38.6 1.0 SG C:CYS127 2.5 40.6 1.0 FE1 C:FES200 2.7 38.9 1.0 CB C:CYS127 3.5 37.4 1.0 CB C:CYS131 3.5 35.2 1.0 CA C:CYS131 3.8 34.8 1.0 CA C:CYS127 3.9 37.5 1.0 N C:CYS131 3.9 34.3 1.0 N C:LEU128 4.2 40.5 1.0 N D:GLY99 4.2 36.6 1.0 N C:GLY129 4.3 36.8 1.0 SG C:CYS86 4.3 36.4 1.0 C C:CYS127 4.4 40.3 1.0 N C:ALA130 4.4 34.5 1.0 CB C:VAL90 4.7 43.8 1.0 C C:ALA130 4.7 39.1 1.0 CA C:GLY129 4.8 35.1 1.0 SG C:CYS91 4.8 47.3 1.0 CG2 C:VAL90 4.8 43.4 1.0 CA D:GLY99 4.9 36.0 1.0 CA D:PRO98 4.9 39.5 1.0

Iron binding site 9 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe500 b:52.4 occ:1.00 FE1 D:SF4500 0.0 52.4 1.0 SG D:CYS347 2.1 47.3 1.0 S3 D:SF4500 2.3 51.0 1.0 S4 D:SF4500 2.3 48.2 1.0 S2 D:SF4500 2.3 51.5 1.0 FE3 D:SF4500 2.8 50.3 1.0 FE2 D:SF4500 2.8 49.8 1.0 FE4 D:SF4500 2.8 45.4 1.0 CB D:CYS347 3.4 43.1 1.0 N D:CYS347 3.6 42.0 1.0 CA D:CYS347 3.9 43.4 1.0 S1 D:SF4500 4.0 44.7 1.0 N D:GLY348 4.0 47.0 1.0 CB D:GLN349 4.1 52.9 1.0 N D:GLN349 4.1 51.6 1.0 C D:CYS347 4.3 50.9 1.0 CD D:PRO199 4.4 39.6 1.0 NE2 D:GLN349 4.4 72.9 1.0 CG D:PRO199 4.6 43.2 1.0 SG D:CYS393 4.7 43.2 1.0 OG1 D:THR346 4.7 39.9 1.0 CA D:GLN349 4.7 52.7 1.0 SG D:CYS350 4.8 52.2 1.0 C D:THR346 4.8 45.4 1.0 N D:CYS350 4.8 49.1 1.0 CG1 D:ILE181 4.8 42.1 1.0 CG D:GLN349 4.8 72.5 1.0 CD1 D:ILE181 4.9 42.9 1.0 SG D:CYS353 4.9 42.6 1.0 CA D:GLY348 5.0 48.8 1.0

Iron binding site 10 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form Bound to Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe500 b:49.8 occ:1.00 FE2 D:SF4500 0.0 49.8 1.0 S4 D:SF4500 2.3 48.2 1.0 S1 D:SF4500 2.3 44.7 1.0 S3 D:SF4500 2.3 51.0 1.0 SG D:CYS353 2.4 42.6 1.0 FE3 D:SF4500 2.8 50.3 1.0 FE4 D:SF4500 2.8 45.4 1.0 FE1 D:SF4500 2.8 52.4 1.0 CB D:CYS353 3.1 40.4 1.0 OG1 D:THR346 3.7 39.9 1.0 S2 D:SF4500 3.9 51.5 1.0 N D:GLY396 4.1 46.0 1.0 CD2 D:LEU395 4.3 43.5 1.0 CB D:LEU395 4.4 37.9 1.0 CA D:GLY396 4.4 47.6 1.0 CA D:CYS353 4.5 41.7 1.0 CB D:THR346 4.6 44.5 1.0 N D:CYS347 4.6 42.0 1.0 CB D:CYS350 4.6 48.8 1.0 SG D:CYS350 4.6 52.2 1.0 SG D:CYS393 4.8 43.2 1.0 CA D:THR346 4.8 43.1 1.0 SG D:CYS347 4.8 47.3 1.0 CG D:LEU395 4.9 42.6 1.0 C D:LEU395 4.9 47.8 1.0 C D:CYS353 5.0 48.6 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