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Iron in PDB 6hl4: Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form

Enzymatic activity of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form

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

Protein crystallography data

The structure of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form, PDB code: 6hl4 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) 36.96 / 2.06
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.741, 108.117, 188.181, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 23.7

Other elements in 6hl4:

The structure of Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

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 (pdb code 6hl4). 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, PDB code: 6hl4:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 6hl4

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Iron binding site 1 out of 12 in the Wild-Type Nuoef From Aquifex Aeolicus - Reduced Form


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe200

b:25.2
occ:1.00
 FE1 A:FES200 0.0 25.2 1.0
S2 A:FES200 2.2 25.0 1.0
S1 A:FES200 2.2 25.7 1.0
SG A:CYS86 2.3 25.0 1.0
SG A:CYS91 2.3 26.6 1.0
FE2 A:FES200 2.7 28.3 1.0
CB A:CYS91 3.3 24.4 1.0
CB A:CYS86 3.4 21.9 1.0
N A:CYS91 3.9 25.1 1.0
CA A:CYS91 4.2 24.8 1.0
N A:LEU128 4.3 25.3 1.0
CA A:CYS127 4.3 26.4 1.0
CB A:SER88 4.4 22.4 1.0
SG A:CYS127 4.7 30.9 1.0
SG A:CYS131 4.7 20.9 1.0
CA A:CYS86 4.7 22.3 1.0
O A:SER88 4.8 21.6 1.0
CG2 A:VAL136 4.8 26.7 1.0
CB A:CYS127 4.8 27.1 1.0
N A:SER88 4.8 21.4 1.0
C A:CYS127 4.9 30.2 1.0
CB A:VAL136 4.9 27.4 1.0
CA A:SER88 4.9 20.3 1.0
C A:SER88 4.9 23.9 1.0
CA A:CYS131 4.9 17.6 1.0
C A:CYS86 4.9 25.7 1.0

Iron binding site 2 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe200

b:28.3
occ:1.00
 FE2 A:FES200 0.0 28.3 1.0
S2 A:FES200 2.2 25.0 1.0
S1 A:FES200 2.2 25.7 1.0
SG A:CYS131 2.3 20.9 1.0
SG A:CYS127 2.4 30.9 1.0
FE1 A:FES200 2.7 25.2 1.0
CB A:CYS127 3.5 27.1 1.0
CB A:CYS131 3.5 17.7 1.0
CA A:CYS127 3.7 26.4 1.0
N A:LEU128 3.8 25.3 1.0
CA A:CYS131 3.8 17.6 1.0
N A:CYS131 3.9 17.4 1.0
N A:GLY129 4.0 20.6 1.0
C A:CYS127 4.1 30.2 1.0
N A:ALA130 4.3 19.5 1.0
SG A:CYS86 4.3 25.0 1.0
N B:GLY99 4.3 28.8 1.0
CA A:GLY129 4.5 17.9 1.0
SG A:CYS91 4.7 26.6 1.0
C A:ALA130 4.8 22.2 1.0
CA A:LEU128 4.8 23.1 1.0
C A:LEU128 4.8 24.9 1.0
CB A:VAL90 4.9 26.7 1.0
C A:GLY129 5.0 21.0 1.0
CA B:GLY99 5.0 28.3 1.0
N A:CYS127 5.0 25.5 1.0
CA B:PRO98 5.0 29.0 1.0
CG2 A:VAL90 5.0 25.6 1.0

Iron binding site 3 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:27.8
occ:1.00
 FE1 B:SF4501 0.0 27.8 1.0
SG B:CYS347 2.2 29.6 1.0
S4 B:SF4501 2.3 25.4 1.0
S3 B:SF4501 2.3 27.6 1.0
S2 B:SF4501 2.3 26.7 1.0
FE2 B:SF4501 2.7 28.8 1.0
FE3 B:SF4501 2.7 26.9 1.0
FE4 B:SF4501 2.8 27.7 1.0
CB B:CYS347 3.4 25.5 1.0
N B:CYS347 3.6 25.6 1.0
CA B:CYS347 3.8 25.6 1.0
N B:GLY348 3.9 27.1 1.0
S1 B:SF4501 3.9 25.9 1.0
N B:GLN349 4.0 28.3 1.0
C B:CYS347 4.2 29.0 1.0
CB B:GLN349 4.2 28.1 1.0
CD B:PRO199 4.5 28.5 1.0
OG1 B:THR346 4.6 34.3 1.0
CA B:GLN349 4.7 27.7 1.0
OE1 B:GLN349 4.7 34.7 1.0
C B:THR346 4.7 29.4 1.0
SG B:CYS350 4.7 24.4 1.0
SG B:CYS393 4.7 26.6 1.0
CD1 B:ILE181 4.7 33.5 1.0
N B:CYS350 4.8 24.3 1.0
CG B:PRO199 4.8 31.8 1.0
CG1 B:ILE181 4.8 28.9 1.0
CA B:GLY348 4.9 27.9 1.0
C B:GLY348 4.9 33.5 1.0
SG B:CYS353 4.9 24.7 1.0
CG B:GLN349 5.0 28.5 1.0

Iron binding site 4 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:28.8
occ:1.00
 FE2 B:SF4501 0.0 28.8 1.0
S3 B:SF4501 2.3 27.6 1.0
S4 B:SF4501 2.3 25.4 1.0
S1 B:SF4501 2.3 25.9 1.0
SG B:CYS353 2.3 24.7 1.0
FE4 B:SF4501 2.7 27.7 1.0
FE1 B:SF4501 2.7 27.8 1.0
FE3 B:SF4501 2.7 26.9 1.0
CB B:CYS353 3.2 21.8 1.0
OG1 B:THR346 3.5 34.3 1.0
S2 B:SF4501 3.9 26.7 1.0
CD2 B:LEU395 4.2 30.0 1.0
N B:GLY396 4.2 28.5 1.0
CB B:THR346 4.5 32.8 1.0
CB B:LEU395 4.5 24.2 1.0
CA B:GLY396 4.5 29.7 1.0
N B:CYS347 4.5 25.6 1.0
CA B:CYS353 4.6 22.2 1.0
SG B:CYS350 4.7 24.4 1.0
CA B:THR346 4.7 25.1 1.0
SG B:CYS393 4.7 26.6 1.0
CB B:CYS350 4.9 22.0 1.0
SG B:CYS347 4.9 29.6 1.0
CG B:LEU395 4.9 28.3 1.0
C B:CYS353 4.9 27.7 1.0

Iron binding site 5 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:26.9
occ:1.00
 FE3 B:SF4501 0.0 26.9 1.0
SG B:CYS393 2.3 26.6 1.0
S1 B:SF4501 2.3 25.9 1.0
S2 B:SF4501 2.3 26.7 1.0
S4 B:SF4501 2.3 25.4 1.0
FE4 B:SF4501 2.7 27.7 1.0
FE2 B:SF4501 2.7 28.8 1.0
FE1 B:SF4501 2.7 27.8 1.0
CB B:CYS393 3.2 23.2 1.0
N B:CYS393 3.9 24.7 1.0
S3 B:SF4501 3.9 27.6 1.0
CA B:CYS393 3.9 23.4 1.0
CD1 B:ILE181 4.2 33.5 1.0
C B:CYS393 4.2 26.0 1.0
O B:CYS393 4.3 25.0 1.0
CB B:LEU395 4.3 24.2 1.0
CG B:PRO199 4.4 31.8 1.0
N B:GLY396 4.6 28.5 1.0
SG B:CYS347 4.7 29.6 1.0
N B:LEU395 4.7 23.8 1.0
SG B:CYS350 4.8 24.4 1.0
C B:ILE392 4.8 29.8 1.0
SG B:CYS353 4.9 24.7 1.0
CD B:PRO199 4.9 28.5 1.0
N B:ILE392 5.0 26.2 1.0
CA B:LEU395 5.0 24.1 1.0
CG1 B:ILE181 5.0 28.9 1.0

Iron binding site 6 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:27.7
occ:1.00
 FE4 B:SF4501 0.0 27.7 1.0
SG B:CYS350 2.2 24.4 1.0
S1 B:SF4501 2.3 25.9 1.0
S2 B:SF4501 2.3 26.7 1.0
S3 B:SF4501 2.3 27.6 1.0
FE3 B:SF4501 2.7 26.9 1.0
FE2 B:SF4501 2.7 28.8 1.0
FE1 B:SF4501 2.8 27.8 1.0
CB B:CYS350 3.2 22.0 1.0
N B:CYS350 3.7 24.3 1.0
S4 B:SF4501 3.9 25.4 1.0
N B:ILE392 4.0 26.2 1.0
CA B:CYS350 4.1 23.5 1.0
CG1 B:ILE392 4.1 29.8 1.0
CB B:GLN349 4.3 28.1 1.0
CB B:CYS353 4.4 21.8 1.0
CA B:SER391 4.5 24.3 1.0
SG B:CYS353 4.6 24.7 1.0
N B:CYS393 4.6 24.7 1.0
C B:GLN349 4.6 29.1 1.0
SG B:CYS347 4.6 29.6 1.0
N B:GLN349 4.7 28.3 1.0
CB B:SER391 4.8 24.6 1.0
C B:SER391 4.8 29.7 1.0
CA B:GLN349 4.8 27.7 1.0
SG B:CYS393 4.8 26.6 1.0
CA B:ILE392 4.9 26.2 1.0
O B:CYS350 5.0 25.5 1.0

Iron binding site 7 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe200

b:24.0
occ:1.00
 FE1 C:FES200 0.0 24.0 1.0
S1 C:FES200 2.2 20.1 1.0
S2 C:FES200 2.2 21.8 1.0
SG C:CYS86 2.3 21.9 1.0
SG C:CYS91 2.4 21.0 1.0
FE2 C:FES200 2.7 20.6 1.0
CB C:CYS86 3.2 17.4 1.0
CB C:CYS91 3.3 17.5 1.0
N C:CYS91 3.9 17.3 1.0
N C:LEU128 4.1 15.3 1.0
CA C:CYS127 4.2 17.2 1.0
CA C:CYS91 4.2 17.9 1.0
CA C:CYS86 4.6 17.3 1.0
SG C:CYS127 4.6 21.6 1.0
C C:CYS127 4.7 19.9 1.0
CB C:SER88 4.7 21.1 1.0
SG C:CYS131 4.7 27.9 1.0
CB C:CYS127 4.7 18.0 1.0
CG2 C:VAL136 4.8 24.4 1.0
CB C:VAL136 4.8 24.2 1.0
CA C:CYS131 4.9 22.2 1.0
C C:CYS86 4.9 22.4 1.0
N C:CYS127 5.0 17.7 1.0
O C:SER88 5.0 22.9 1.0
C C:VAL90 5.0 21.2 1.0

Iron binding site 8 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe200

b:20.6
occ:1.00
 FE2 C:FES200 0.0 20.6 1.0
SG C:CYS131 2.2 27.9 1.0
S2 C:FES200 2.2 21.8 1.0
S1 C:FES200 2.2 20.1 1.0
SG C:CYS127 2.7 21.6 1.0
FE1 C:FES200 2.7 24.0 1.0
CB C:CYS131 3.2 24.2 1.0
CA C:CYS131 3.6 22.2 1.0
CB C:CYS127 3.6 18.0 1.0
N C:CYS131 3.8 20.9 1.0
CA C:CYS127 3.9 17.2 1.0
N D:GLY99 4.1 22.3 1.0
N C:LEU128 4.1 15.3 1.0
N C:GLY129 4.2 17.5 1.0
N C:ALA130 4.3 18.1 1.0
C C:CYS127 4.4 19.9 1.0
SG C:CYS86 4.4 21.9 1.0
CB C:VAL90 4.5 21.2 1.0
CG2 C:VAL90 4.6 21.9 1.0
SG C:CYS91 4.6 21.0 1.0
C C:ALA130 4.7 23.0 1.0
CA D:GLY99 4.7 21.6 1.0
CA C:GLY129 4.7 17.4 1.0
CA D:PRO98 5.0 24.1 1.0

Iron binding site 9 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe500

b:23.3
occ:1.00
 FE1 D:SF4500 0.0 23.3 1.0
SG D:CYS347 2.2 23.6 1.0
S4 D:SF4500 2.3 21.2 1.0
S3 D:SF4500 2.3 22.9 1.0
S2 D:SF4500 2.3 20.8 1.0
FE2 D:SF4500 2.7 23.4 1.0
FE3 D:SF4500 2.7 21.3 1.0
FE4 D:SF4500 2.8 21.9 1.0
CB D:CYS347 3.5 19.9 1.0
N D:CYS347 3.6 20.6 1.0
S1 D:SF4500 3.9 20.2 1.0
CA D:CYS347 3.9 20.2 1.0
N D:GLY348 4.0 21.5 1.0
N D:GLN349 4.1 24.3 1.0
CB D:GLN349 4.3 24.9 1.0
CD D:PRO199 4.3 23.2 1.0
C D:CYS347 4.3 24.6 1.0
CG D:PRO199 4.5 27.5 1.0
SG D:CYS393 4.6 20.8 1.0
CD1 D:ILE181 4.6 15.1 1.0
OG1 D:THR346 4.7 19.0 1.0
OE1 D:GLN349 4.7 40.3 1.0
CG1 D:ILE181 4.7 18.3 1.0
SG D:CYS350 4.7 27.5 1.0
CA D:GLN349 4.8 24.2 1.0
C D:THR346 4.8 25.0 1.0
N D:CYS350 4.9 23.2 1.0
SG D:CYS353 4.9 25.5 1.0

Iron binding site 10 out of 12 in 6hl4

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


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe500

b:23.4
occ:1.00
 FE2 D:SF4500 0.0 23.4 1.0
S3 D:SF4500 2.3 22.9 1.0
S1 D:SF4500 2.3 20.2 1.0
S4 D:SF4500 2.3 21.2 1.0
SG D:CYS353 2.3 25.5 1.0
FE4 D:SF4500 2.7 21.9 1.0
FE1 D:SF4500 2.7 23.3 1.0
FE3 D:SF4500 2.8 21.3 1.0
CB D:CYS353 3.1 22.6 1.0
OG1 D:THR346 3.4 19.0 1.0
S2 D:SF4500 3.9 20.8 1.0
CD2 D:LEU395 4.3 20.8 1.0
N D:GLY396 4.3 24.1 1.0
CB D:THR346 4.4 23.9 1.0
N D:CYS347 4.5 20.6 1.0
CA D:CYS353 4.5 22.9 1.0
CA D:GLY396 4.6 24.6 1.0
SG D:CYS350 4.6 27.5 1.0
CB D:LEU395 4.6 17.3 1.0
CA D:THR346 4.6 19.2 1.0
SG D:CYS393 4.7 20.8 1.0
SG D:CYS347 4.8 23.6 1.0
CB D:CYS350 4.8 24.1 1.0
C D:CYS353 4.9 25.1 1.0
N D:GLY348 4.9 21.5 1.0
CG D:LEU395 5.0 20.2 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: Tue Aug 6 21:26:10 2024

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