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Chlorine in PDB 9fij: Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus

Protein crystallography data

The structure of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus, PDB code: 9fij was solved by D.Wohlwend, T.Friedrich, S.Goeppert-Asadollahpour, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.69 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.984, 113.438, 189.11, 90, 90, 90
R / Rfree (%) 19.3 / 23.6

Other elements in 9fij:

The structure of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus also contains other interesting chemical elements:

Iron (Fe) 12 atoms
Sodium (Na) 15 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus (pdb code 9fij). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus, PDB code: 9fij:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 9fij

Go back to Chlorine Binding Sites List in 9fij
Chlorine binding site 1 out of 7 in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:60.0
occ:1.00
 O B:HOH747 3.3 36.4 1.0
O3' B:FNR502 3.6 26.7 1.0
O2' B:FNR502 3.9 26.6 1.0
C1' B:FNR502 4.2 26.8 1.0
CB B:ALA69 4.2 46.1 1.0
O B:HOH659 4.3 35.1 1.0
C9 B:FNR502 4.4 27.9 1.0
C2' B:FNR502 4.4 26.5 1.0
C3' B:FNR502 4.5 26.4 1.0
C8M B:FNR502 4.7 28.4 1.0
NZ B:LYS202 4.9 67.4 1.0

Chlorine binding site 2 out of 7 in 9fij

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Chlorine binding site 2 out of 7 in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:61.4
occ:1.00
 O C:HOH322 3.4 24.9 1.0
N C:LYS26 3.6 39.1 1.0
CA C:LYS25 3.7 39.5 1.0
CG C:LYS26 3.8 44.4 1.0
CB C:LYS25 3.9 39.3 1.0
C C:LYS25 4.2 38.5 1.0
CG C:LYS25 4.3 41.2 1.0
NH2 C:ARG27 4.4 44.5 1.0
O C:PRO24 4.5 40.1 1.0
CD C:LYS26 4.5 47.0 1.0
CB C:LYS26 4.6 42.2 1.0
CA C:LYS26 4.7 39.9 1.0
CE C:LYS26 4.8 47.6 1.0
N C:LYS25 4.9 38.4 1.0
CD C:LYS25 5.0 42.8 1.0

Chlorine binding site 3 out of 7 in 9fij

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Chlorine binding site 3 out of 7 in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:47.4
occ:1.00
 N D:LYS160 3.2 35.0 1.0
O D:HOH624 3.6 39.8 1.0
CA D:GLY159 3.7 32.1 1.0
O D:HOH695 3.9 38.5 1.0
C D:GLY159 4.0 33.2 1.0
CB D:LYS160 4.1 40.3 1.0
CA D:LYS160 4.1 37.7 1.0
O D:LYS160 4.2 37.1 1.0
CG D:LYS160 4.5 43.5 1.0
C D:LYS160 4.7 37.9 1.0
O D:LEU158 4.8 33.8 1.0

Chlorine binding site 4 out of 7 in 9fij

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Chlorine binding site 4 out of 7 in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl505

b:74.9
occ:1.00
 NH1 D:ARG27 3.1 37.1 1.0
CD D:LYS25 3.2 48.9 1.0
NZ D:LYS25 3.4 49.5 1.0
CD B:LYS160 3.6 49.2 1.0
O D:HOH713 3.7 14.3 1.0
CE D:LYS25 3.8 50.2 1.0
CZ D:ARG27 4.0 36.0 1.0
NE D:ARG27 4.1 34.7 1.0
CE B:LYS160 4.1 50.5 1.0
OE2 D:GLU33 4.5 37.4 1.0
NZ B:LYS160 4.5 50.0 1.0
CG D:LYS25 4.5 43.6 1.0
CG B:LYS160 4.7 45.5 1.0

Chlorine binding site 5 out of 7 in 9fij

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Chlorine binding site 5 out of 7 in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl506

b:60.5
occ:1.00
 O2' D:FNR502 3.4 26.4 1.0
O D:HOH722 3.8 39.3 1.0
C9 D:FNR502 4.0 28.4 1.0
O3' D:FNR502 4.0 30.4 1.0
C1' D:FNR502 4.2 28.1 1.0
C8M D:FNR502 4.2 29.8 1.0
C2' D:FNR502 4.3 27.7 1.0
C8 D:FNR502 4.6 28.8 1.0
C3' D:FNR502 4.7 28.8 1.0
CG D:GLU184 4.9 29.0 1.0
OE1 D:GLU184 4.9 33.0 1.0

Chlorine binding site 6 out of 7 in 9fij

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Chlorine binding site 6 out of 7 in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl507

b:68.1
occ:1.00
 N D:VAL289 3.8 54.7 1.0
CB D:VAL289 4.3 51.0 1.0
CA D:LYS288 4.4 60.1 1.0
CG2 D:VAL289 4.5 51.2 1.0
CZ D:PHE277 4.5 47.4 1.0
CA D:VAL289 4.6 52.0 1.0
C D:LYS288 4.6 56.3 1.0
CD D:LYS288 4.7 75.3 1.0
CB D:LYS288 4.7 64.9 1.0
O D:VAL289 4.7 52.0 1.0
CD1 D:LEU305 4.8 58.0 1.0
NH1 D:ARG273 4.8 56.8 1.0
OG D:SER302 4.9 66.6 1.0

Chlorine binding site 7 out of 7 in 9fij

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Chlorine binding site 7 out of 7 in the Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Reduced Nuoef Variant E222K(Nuof) From Aquifex Aeolicus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl508

b:58.7
occ:1.00
 O D:HOH672 3.0 28.8 1.0
OE1 D:GLU170 3.6 46.6 1.0
O D:ILE171 4.3 31.2 1.0
NZ D:LYS153 4.5 48.2 1.0
CE D:LYS153 4.6 46.5 1.0
CE1 C:TYR22 4.6 32.9 1.0
CE1 D:TYR172 4.6 30.2 1.0
CD D:GLU170 4.7 43.5 1.0
OE1 D:GLU150 4.7 34.8 1.0
CB D:GLU170 4.8 35.4 1.0
CD1 D:TYR172 4.8 29.7 1.0
CD D:LYS153 4.8 44.1 1.0

Reference:

S.Goppert-Asadollahpour, D.Wohlwend, T.Friedrich. Structural Robustness of the Nadh Binding Site in Nadh:Ubiquinone Oxidoreductase (Complex I). Biochim Biophys Acta V.1865 49491 2024BIOENERG.
ISSN: ISSN 1879-2650
PubMed: 38960077
DOI: 10.1016/J.BBABIO.2024.149491
Page generated: Sun Jul 13 16:47:46 2025

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