Chlorine in PDB 6hl2: Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form

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

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

Protein crystallography data

The structure of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form, PDB code: 6hl2 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) 73.48 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.190, 116.438, 189.449, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.5

Other elements in 6hl2:

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

Iron (Fe) 12 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form (pdb code 6hl2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form, PDB code: 6hl2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6hl2

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Chlorine binding site 1 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:71.0
occ:1.00
 O A:HOH356 3.2 49.0 1.0
NZ A:LYS50 3.6 96.5 1.0
N A:LEU60 3.7 41.8 1.0
O A:HOH349 3.9 46.1 1.0
CA A:PRO59 4.0 40.8 1.0
CB A:PRO59 4.3 43.0 1.0
C A:PRO59 4.4 42.6 1.0
CB A:LEU60 4.4 43.2 1.0
CA A:LEU60 4.7 41.5 1.0

Chlorine binding site 2 out of 8 in 6hl2

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Chlorine binding site 2 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:55.0
occ:1.00
 O B:HOH642 3.3 41.2 1.0
O B:HOH764 3.7 30.1 1.0
O2' B:FMN502 3.7 20.2 1.0
O3' B:FMN502 3.8 22.6 1.0
NZ B:LYS202 4.1 77.7 1.0
C9 B:FMN502 4.2 19.3 1.0
C1' B:FMN502 4.3 20.2 1.0
C8M B:FMN502 4.3 18.6 1.0
C2' B:FMN502 4.4 18.7 1.0
CB B:ALA69 4.4 25.4 1.0
C3' B:FMN502 4.7 20.1 1.0
C8 B:FMN502 4.8 19.7 1.0
OE2 B:GLU185 4.8 57.6 1.0
O B:HOH845 4.9 50.1 1.0
O B:HOH786 4.9 42.2 1.0
OE2 B:GLU184 4.9 32.0 1.0

Chlorine binding site 3 out of 8 in 6hl2

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Chlorine binding site 3 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:69.2
occ:1.00
 O B:HOH790 3.5 36.7 1.0
NH1 B:ARG385 3.6 51.9 1.0
NH2 B:ARG385 3.6 48.8 1.0
CZ B:ARG385 4.1 65.9 1.0
CD1 B:PHE382 4.3 30.5 1.0
CE1 B:PHE382 4.6 32.1 1.0
O B:HOH857 4.6 46.7 1.0

Chlorine binding site 4 out of 8 in 6hl2

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Chlorine binding site 4 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl509

b:64.8
occ:1.00
 ND2 B:ASN48 3.7 52.6 1.0
CA B:LYS45 4.2 28.2 1.0
CG B:LYS45 4.3 37.0 1.0
CB B:ASN48 4.5 38.6 1.0
CB B:LYS45 4.5 29.2 1.0
CG B:ASN48 4.5 57.1 1.0
O B:LYS45 4.8 34.3 1.0

Chlorine binding site 5 out of 8 in 6hl2

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Chlorine binding site 5 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:63.6
occ:1.00
 O C:HOH334 3.3 39.5 1.0
NZ C:LYS50 3.3 93.6 1.0
N C:LEU60 3.6 39.0 1.0
CA C:PRO59 4.1 38.1 1.0
CB C:LEU60 4.2 41.0 1.0
C C:PRO59 4.4 40.8 1.0
CB C:PRO59 4.5 39.6 1.0
CA C:LEU60 4.5 39.1 1.0
CE C:LYS50 4.8 84.3 1.0

Chlorine binding site 6 out of 8 in 6hl2

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Chlorine binding site 6 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl204

b:70.6
occ:1.00
 OD1 C:ASN97 3.6 57.4 1.0
CE1 C:HIS92 4.2 40.2 1.0
OE2 D:GLU333 4.3 74.3 1.0
CG C:ASN97 4.6 60.7 1.0
OH D:TYR368 4.7 56.6 1.0
ND2 C:ASN97 4.9 47.3 1.0
CE2 D:TYR368 4.9 42.3 1.0

Chlorine binding site 7 out of 8 in 6hl2

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Chlorine binding site 7 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl507

b:50.6
occ:1.00
 O2' D:FMN502 3.3 21.9 1.0
O D:HOH632 3.4 40.6 1.0
O D:HOH766 3.6 28.1 1.0
O3' D:FMN502 3.6 21.0 1.0
NZ D:LYS202 4.0 78.7 1.0
C9 D:FMN502 4.1 17.7 1.0
C1' D:FMN502 4.1 21.5 1.0
C2' D:FMN502 4.1 20.8 1.0
C8M D:FMN502 4.3 20.1 1.0
C3' D:FMN502 4.4 21.0 1.0
CB D:ALA69 4.5 29.8 1.0
OE2 D:GLU185 4.6 43.9 1.0
OE2 D:GLU184 4.7 30.7 1.0
C8 D:FMN502 4.7 19.5 1.0
O D:HOH833 4.8 58.1 1.0
O D:HOH782 5.0 37.8 1.0
CG D:GLU185 5.0 27.3 1.0

Chlorine binding site 8 out of 8 in 6hl2

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Chlorine binding site 8 out of 8 in the Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Wild-Type Nuoef From Aquifex Aeolicus - Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl508

b:72.5
occ:1.00
 NH2 D:ARG239 3.2 43.5 1.0
NH1 D:ARG239 3.6 44.7 1.0
CZ D:ARG239 3.9 55.1 1.0
CG2 D:THR62 4.2 32.8 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: Sat Dec 12 13:05:22 2020

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