Atomistry » Iron » PDB 8qby-8quz » 8qg1
Atomistry »
  Iron »
    PDB 8qby-8quz »
      8qg1 »

Iron in PDB 8qg1: Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose

Protein crystallography data

The structure of Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose, PDB code: 8qg1 was solved by D.Wohlwend, T.Friedrich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.56 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.129, 116.146, 189.485, 90, 90, 90
R / Rfree (%) 17.8 / 20.7

Other elements in 8qg1:

The structure of Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose (pdb code 8qg1). 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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose, PDB code: 8qg1:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 1 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:30.3
occ:1.00
 FE1 A:FES201 0.0 30.3 1.0
S2 A:FES201 2.2 27.8 1.0
S1 A:FES201 2.2 28.4 1.0
SG A:CYS86 2.3 29.1 1.0
SG A:CYS91 2.3 30.0 1.0
FE2 A:FES201 2.7 30.9 1.0
CB A:CYS86 3.3 28.4 1.0
CB A:CYS91 3.3 29.3 1.0
N A:CYS91 3.8 29.0 1.0
CA A:CYS127 4.2 28.0 1.0
CA A:CYS91 4.2 29.8 1.0
N A:LEU128 4.3 27.4 1.0
SG A:CYS127 4.5 28.4 1.0
CG2 A:VAL136 4.6 29.7 1.0
CA A:CYS86 4.7 28.6 1.0
CB A:SER88 4.7 29.0 1.0
CB A:CYS127 4.7 28.0 1.0
CB A:VAL136 4.8 29.1 1.0
SG A:CYS131 4.8 29.4 1.0
C A:CYS127 4.8 27.5 1.0
N A:SER88 4.9 29.3 1.0
O A:SER88 4.9 28.5 1.0
CA A:CYS131 4.9 27.9 1.0
C A:CYS86 4.9 28.9 1.0
C A:VAL90 4.9 29.3 1.0
N A:CYS127 5.0 27.7 1.0
CB A:VAL90 5.0 29.1 1.0

Iron binding site 2 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 2 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:30.9
occ:1.00
 FE2 A:FES201 0.0 30.9 1.0
S1 A:FES201 2.2 28.4 1.0
S2 A:FES201 2.2 27.8 1.0
SG A:CYS131 2.3 29.4 1.0
SG A:CYS127 2.4 28.4 1.0
FE1 A:FES201 2.7 30.3 1.0
CB A:CYS131 3.4 28.6 1.0
CB A:CYS127 3.4 28.0 1.0
CA A:CYS127 3.7 28.0 1.0
CA A:CYS131 3.8 27.9 1.0
N A:LEU128 4.0 27.4 1.0
N A:CYS131 4.1 27.3 1.0
N A:GLY129 4.1 25.9 1.0
N B:GLY99 4.2 26.9 1.0
C A:CYS127 4.3 27.5 1.0
SG A:CYS86 4.4 29.1 1.0
N A:ALA130 4.4 26.4 1.0
SG A:CYS91 4.6 30.0 1.0
CB A:VAL90 4.7 29.1 1.0
CA A:GLY129 4.7 25.7 1.0
CG2 A:VAL90 4.8 28.8 1.0
C A:ALA130 4.8 27.0 1.0
CA B:GLY99 4.8 27.6 1.0
CA B:PRO98 4.9 28.0 1.0

Iron binding site 3 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 3 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:31.7
occ:1.00
 FE1 B:SF4501 0.0 31.7 1.0
SG B:CYS347 2.2 33.3 1.0
S3 B:SF4501 2.3 32.9 1.0
S4 B:SF4501 2.3 30.2 1.0
S2 B:SF4501 2.3 32.2 1.0
FE4 B:SF4501 2.7 33.0 1.0
FE3 B:SF4501 2.8 31.0 1.0
FE2 B:SF4501 2.8 31.6 1.0
CB B:CYS347 3.4 33.1 1.0
N B:CYS347 3.6 32.8 1.0
N B:GLY348 3.9 34.8 1.0
CA B:CYS347 3.9 33.4 1.0
S1 B:SF4501 3.9 32.1 1.0
N B:GLN349 4.2 35.3 1.0
C B:CYS347 4.2 34.6 1.0
CD B:PRO199 4.4 30.9 1.0
NE2 B:GLN349 4.4 37.3 1.0
CB B:GLN349 4.4 37.9 1.0
CG B:PRO199 4.5 31.3 1.0
OG1 B:THR346 4.6 32.6 1.0
SG B:CYS350 4.7 33.0 1.0
SG B:CYS393 4.7 31.4 1.0
C B:THR346 4.8 33.0 1.0
N B:CYS350 4.8 34.0 1.0
SG B:CYS353 4.8 31.5 1.0
CA B:GLN349 4.9 36.4 1.0
CA B:GLY348 4.9 35.3 1.0
CG1 B:ILE181 5.0 28.2 1.0

Iron binding site 4 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 4 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:31.6
occ:1.00
 FE2 B:SF4501 0.0 31.6 1.0
SG B:CYS353 2.3 31.5 1.0
S4 B:SF4501 2.3 30.2 1.0
S3 B:SF4501 2.3 32.9 1.0
S1 B:SF4501 2.3 32.1 1.0
FE4 B:SF4501 2.7 33.0 1.0
FE3 B:SF4501 2.8 31.0 1.0
FE1 B:SF4501 2.8 31.7 1.0
CB B:CYS353 3.1 33.0 1.0
OG1 B:THR346 3.7 32.6 1.0
S2 B:SF4501 3.9 32.2 1.0
CD2 B:LEU395 4.1 30.7 1.0
N B:GLY396 4.1 31.9 1.0
CA B:GLY396 4.4 32.5 1.0
CA B:CYS353 4.6 32.9 1.0
CB B:LEU395 4.6 29.6 1.0
CB B:THR346 4.6 32.7 1.0
N B:CYS347 4.6 32.8 1.0
SG B:CYS350 4.7 33.0 1.0
SG B:CYS393 4.7 31.4 1.0
CA B:THR346 4.8 32.0 1.0
CB B:CYS350 4.9 33.2 1.0
SG B:CYS347 4.9 33.3 1.0
CG B:LEU395 4.9 30.0 1.0
N B:GLY348 4.9 34.8 1.0
C B:CYS353 5.0 33.4 1.0
C B:LEU395 5.0 30.8 1.0

Iron binding site 5 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 5 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:31.0
occ:1.00
 FE3 B:SF4501 0.0 31.0 1.0
SG B:CYS393 2.3 31.4 1.0
S1 B:SF4501 2.3 32.1 1.0
S2 B:SF4501 2.3 32.2 1.0
S4 B:SF4501 2.3 30.2 1.0
FE4 B:SF4501 2.8 33.0 1.0
FE2 B:SF4501 2.8 31.6 1.0
FE1 B:SF4501 2.8 31.7 1.0
CB B:CYS393 3.3 32.8 1.0
N B:CYS393 3.9 35.0 1.0
S3 B:SF4501 3.9 32.9 1.0
CA B:CYS393 4.0 34.3 1.0
CG B:PRO199 4.2 31.3 1.0
O B:CYS393 4.2 34.9 1.0
C B:CYS393 4.2 33.9 1.0
CB B:LEU395 4.2 29.6 1.0
N B:GLY396 4.4 31.9 1.0
CD1 B:ILE181 4.4 28.5 1.0
N B:LEU395 4.6 30.1 1.0
CB B:PRO199 4.7 31.3 1.0
SG B:CYS347 4.7 33.3 1.0
C B:ILE392 4.8 36.2 1.0
SG B:CYS353 4.9 31.5 1.0
SG B:CYS350 4.9 33.0 1.0
CD B:PRO199 4.9 30.9 1.0
CA B:LEU395 4.9 29.9 1.0
N B:ILE392 5.0 35.4 1.0

Iron binding site 6 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 6 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:33.0
occ:1.00
 FE4 B:SF4501 0.0 33.0 1.0
SG B:CYS350 2.3 33.0 1.0
S2 B:SF4501 2.3 32.2 1.0
S3 B:SF4501 2.3 32.9 1.0
S1 B:SF4501 2.3 32.1 1.0
FE2 B:SF4501 2.7 31.6 1.0
FE1 B:SF4501 2.7 31.7 1.0
FE3 B:SF4501 2.8 31.0 1.0
CB B:CYS350 3.3 33.2 1.0
N B:CYS350 3.8 34.0 1.0
S4 B:SF4501 3.9 30.2 1.0
N B:ILE392 4.0 35.4 1.0
CG1 B:ILE392 4.1 39.0 1.0
CA B:CYS350 4.2 34.1 1.0
CB B:CYS353 4.4 33.0 1.0
CB B:GLN349 4.5 37.9 1.0
SG B:CYS353 4.6 31.5 1.0
N B:CYS393 4.6 35.0 1.0
SG B:CYS347 4.6 33.3 1.0
CA B:SER391 4.6 34.8 1.0
C B:GLN349 4.8 35.7 1.0
CD1 B:ILE392 4.8 40.1 1.0
CB B:SER391 4.8 34.3 1.0
N B:GLN349 4.8 35.3 1.0
C B:SER391 4.9 35.1 1.0
SG B:CYS393 4.9 31.4 1.0
CA B:ILE392 4.9 37.3 1.0
CA B:GLN349 5.0 36.4 1.0

Iron binding site 7 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 7 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:31.4
occ:1.00
 FE1 C:FES201 0.0 31.4 1.0
S1 C:FES201 2.2 28.3 1.0
S2 C:FES201 2.2 30.4 1.0
SG C:CYS86 2.3 30.0 1.0
SG C:CYS91 2.3 32.1 1.0
FE2 C:FES201 2.7 31.5 1.0
CB C:CYS91 3.3 31.9 1.0
CB C:CYS86 3.3 29.5 1.0
N C:CYS91 3.9 30.4 1.0
CA C:CYS91 4.2 31.9 1.0
CA C:CYS127 4.2 29.5 1.0
N C:LEU128 4.3 28.6 1.0
SG C:CYS127 4.5 29.8 1.0
CB C:CYS127 4.6 30.2 1.0
CA C:CYS86 4.7 30.2 1.0
CG2 C:VAL136 4.7 29.9 1.0
CB C:SER88 4.7 29.7 1.0
SG C:CYS131 4.8 30.1 1.0
CB C:VAL136 4.8 29.8 1.0
C C:CYS127 4.8 28.8 1.0
N C:SER88 4.8 31.0 1.0
O C:SER88 4.9 31.1 1.0
CA C:CYS131 4.9 30.1 1.0
C C:CYS86 4.9 30.6 1.0
C C:VAL90 5.0 30.2 1.0

Iron binding site 8 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 8 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:31.5
occ:1.00
 FE2 C:FES201 0.0 31.5 1.0
S2 C:FES201 2.2 30.4 1.0
S1 C:FES201 2.2 28.3 1.0
SG C:CYS131 2.3 30.1 1.0
SG C:CYS127 2.4 29.8 1.0
FE1 C:FES201 2.7 31.4 1.0
CB C:CYS127 3.4 30.2 1.0
CB C:CYS131 3.4 29.6 1.0
CA C:CYS131 3.8 30.1 1.0
CA C:CYS127 3.8 29.5 1.0
N C:LEU128 4.0 28.6 1.0
N C:CYS131 4.0 29.4 1.0
N C:GLY129 4.1 26.7 1.0
N D:GLY99 4.2 29.1 1.0
C C:CYS127 4.3 28.8 1.0
N C:ALA130 4.4 28.8 1.0
SG C:CYS86 4.4 30.0 1.0
SG C:CYS91 4.7 32.1 1.0
CB C:VAL90 4.7 29.8 1.0
C C:ALA130 4.7 29.5 1.0
CA C:GLY129 4.7 27.6 1.0
CG2 C:VAL90 4.8 29.9 1.0
CA D:GLY99 4.9 29.3 1.0
CA D:PRO98 4.9 29.0 1.0
C C:LEU128 5.0 27.5 1.0

Iron binding site 9 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 9 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe501

b:32.2
occ:1.00
 FE1 D:SF4501 0.0 32.2 1.0
SG D:CYS347 2.3 32.8 1.0
S4 D:SF4501 2.3 30.6 1.0
S3 D:SF4501 2.3 33.4 1.0
S2 D:SF4501 2.3 33.3 1.0
FE4 D:SF4501 2.8 33.4 1.0
FE3 D:SF4501 2.8 30.9 1.0
FE2 D:SF4501 2.8 31.9 1.0
CB D:CYS347 3.5 32.6 1.0
N D:CYS347 3.7 32.0 1.0
N D:GLY348 3.9 32.1 1.0
S1 D:SF4501 3.9 31.7 1.0
CA D:CYS347 3.9 32.2 1.0
N D:GLN349 4.1 33.4 1.0
C D:CYS347 4.2 32.6 1.0
CB D:GLN349 4.3 35.3 1.0
CD D:PRO199 4.4 32.0 1.0
NE2 D:GLN349 4.5 33.9 1.0
OG1 D:THR346 4.6 32.2 1.0
CG D:PRO199 4.6 32.2 1.0
SG D:CYS350 4.7 33.8 1.0
SG D:CYS393 4.7 32.2 1.0
CA D:GLN349 4.8 34.8 1.0
CG D:GLN349 4.8 36.8 1.0
C D:THR346 4.8 33.0 1.0
SG D:CYS353 4.8 30.6 1.0
N D:CYS350 4.8 34.2 1.0
CA D:GLY348 4.9 33.4 1.0
CG1 D:ILE181 5.0 29.1 1.0
C D:GLY348 5.0 34.0 1.0

Iron binding site 10 out of 12 in 8qg1

Go back to Iron Binding Sites List in 8qg1
Iron binding site 10 out of 12 in the Crystal Structure of Oxidized Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose


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 Respiratory Complex I Subunits Nuoef From Aquifex Aeolicus Bound to Adp-Ribose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe501

b:31.9
occ:1.00
 FE2 D:SF4501 0.0 31.9 1.0
SG D:CYS353 2.2 30.6 1.0
S4 D:SF4501 2.3 30.6 1.0
S3 D:SF4501 2.3 33.4 1.0
S1 D:SF4501 2.3 31.7 1.0
FE4 D:SF4501 2.7 33.4 1.0
FE3 D:SF4501 2.7 30.9 1.0
FE1 D:SF4501 2.8 32.2 1.0
CB D:CYS353 3.1 32.1 1.0
OG1 D:THR346 3.6 32.2 1.0
S2 D:SF4501 3.9 33.3 1.0
N D:GLY396 4.2 32.8 1.0
CD2 D:LEU395 4.4 32.8 1.0
CA D:GLY396 4.4 33.4 1.0
CB D:THR346 4.5 33.4 1.0
CA D:CYS353 4.6 32.6 1.0
CB D:LEU395 4.6 31.8 1.0
N D:CYS347 4.6 32.0 1.0
SG D:CYS350 4.7 33.8 1.0
CA D:THR346 4.7 32.9 1.0
SG D:CYS393 4.8 32.2 1.0
CB D:CYS350 4.9 34.1 1.0
SG D:CYS347 4.9 32.8 1.0
N D:GLY348 5.0 32.1 1.0
C D:CYS353 5.0 33.1 1.0

Reference:

D.Wohlwend, L.Merono, S.Bucka, K.Ritter, H.J.Jessen, T.Friedrich. Structures of 3-Acetylpyridine Adenine Dinucleotide and Adp-Ribose Bound to the Electron Input Module of Respiratory Complex I. Structure 2024.
ISSN: ISSN 0969-2126
PubMed: 38503292
DOI: 10.1016/J.STR.2024.02.013
Page generated: Thu Aug 7 21:13:23 2025

Last articles

Na in 5Z84
Na in 5Z7W
Na in 5Z48
Na in 5Z42
Na in 5Z5O
Na in 5Z39
Na in 5YYD
Na in 5Z2V
Na in 5Z1N
Na in 5YZ3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy