Atomistry » Iron » PDB 6r2q-6rr1 » 6r7p
Atomistry »
  Iron »
    PDB 6r2q-6rr1 »
      6r7p »

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

Protein crystallography data

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

Other elements in 6r7p:

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

Iron Binding Sites:

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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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 6r7p

Go back to Iron Binding Sites List in 6r7p
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

Reference:

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
Page generated: Wed Aug 7 08:41:29 2024

Last articles

W in 8QLN
W in 8RJA
V in 8WTN
Te in 8QLN
Re in 9GHX
Rb in 8Z5C
Ni in 9C0T
Ni in 9C0S
Ni in 9GP1
Ni in 9FYO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy