Chlorine in PDB 7np8: Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution

Enzymatic activity of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution

All present enzymatic activity of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution:
1.8.98.3;

Protein crystallography data

The structure of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution, PDB code: 7np8 was solved by M.Jespersen, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.82 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 167.258, 172.202, 195.888, 90, 90, 90
R / Rfree (%) 18.2 / 20.5

Other elements in 7np8:

The structure of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution also contains other interesting chemical elements:

Calcium (Ca) 9 atoms
Iron (Fe) 101 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution (pdb code 7np8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution, PDB code: 7np8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7np8

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Chlorine binding site 1 out of 6 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1118

b:78.1
occ:1.00
 ND1 A:HIS174 3.0 30.5 1.0
O A:GLU52 3.3 43.0 1.0
O A:HIS174 3.6 36.1 1.0
C A:HIS174 3.8 31.5 1.0
CE1 A:HIS174 3.9 27.2 1.0
CG A:HIS174 4.0 31.1 1.0
CA A:GLU52 4.0 33.1 1.0
CB A:GLU52 4.0 34.0 1.0
N A:ALA175 4.0 30.6 1.0
CA A:ALA175 4.0 28.7 1.0
C A:GLU52 4.1 37.1 1.0
CB A:HIS174 4.1 32.1 1.0
CG A:GLU52 4.2 34.1 1.0
NZ A:LYS167 4.3 33.2 1.0
CB A:ALA175 4.6 23.8 1.0
CE A:LYS167 4.6 32.3 1.0
CA A:HIS174 4.6 28.9 1.0
O A:HOH1241 4.8 27.0 1.0

Chlorine binding site 2 out of 6 in 7np8

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Chlorine binding site 2 out of 6 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1119

b:39.2
occ:1.00
 ND2 A:ASN163 3.1 42.2 1.0
NE A:ARG56 3.2 34.0 1.0
O A:HOH1325 3.2 31.7 1.0
O A:HOH1309 3.2 35.2 1.0
NH2 A:ARG56 3.4 37.1 1.0
CZ A:ARG56 3.7 36.8 1.0
CA A:CYS160 3.9 32.2 1.0
CB A:CYS160 4.1 35.1 1.0
CB A:PRO55 4.1 25.2 1.0
CG A:ASN163 4.1 37.2 1.0
CB A:ASN163 4.3 33.1 1.0
CD A:ARG56 4.3 31.5 1.0
CE1 A:TYR336 4.5 35.7 1.0
CG A:PRO55 4.6 22.1 1.0
O A:PRO55 4.6 35.3 1.0
N A:CYS160 4.6 30.1 1.0
OH A:TYR336 4.8 37.5 1.0
O A:CYS160 4.8 31.5 1.0
SG A:CYS259 4.8 35.7 1.0
C A:CYS160 4.9 32.9 1.0
CZ A:TYR336 4.9 36.5 1.0
C A:PRO55 4.9 33.5 1.0
O A:PRO159 5.0 35.6 1.0

Chlorine binding site 3 out of 6 in 7np8

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Chlorine binding site 3 out of 6 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1020

b:40.6
occ:1.00
 NH1 B:ARG56 2.9 36.2 1.0
ND2 B:ASN163 3.2 41.6 1.0
O B:HOH1217 3.2 30.6 1.0
O B:HOH1218 3.2 47.8 1.0
NE B:ARG56 3.3 38.6 1.0
CZ B:ARG56 3.6 37.5 1.0
CA B:CYS160 3.9 32.8 1.0
CB B:CYS160 4.1 32.3 1.0
CB B:PRO55 4.2 26.8 1.0
CG B:ASN163 4.2 42.4 1.0
CB B:ASN163 4.4 39.6 1.0
CE1 B:TYR336 4.5 31.4 1.0
CD B:ARG56 4.6 38.0 1.0
CG B:PRO55 4.6 27.0 1.0
O B:PRO55 4.6 41.9 1.0
N B:CYS160 4.7 34.5 1.0
SG B:CYS259 4.7 44.0 1.0
OH B:TYR336 4.7 33.8 1.0
CZ B:TYR336 4.8 38.9 1.0
NH2 B:ARG56 4.9 33.6 1.0
O B:CYS160 4.9 43.1 1.0
C B:CYS160 5.0 37.8 1.0
C B:PRO55 5.0 34.3 1.0

Chlorine binding site 4 out of 6 in 7np8

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Chlorine binding site 4 out of 6 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1121

b:55.0
occ:1.00
 NE C:ARG67 3.1 27.0 1.0
NH2 C:ARG67 3.4 30.0 1.0
C C:ALA457 3.4 30.0 1.0
O C:ALA457 3.5 31.9 1.0
N C:ALA457 3.6 31.1 1.0
CZ C:ARG67 3.6 30.1 1.0
CA C:ALA457 3.6 30.9 1.0
CE1 C:TYR173 3.8 31.7 1.0
N C:PRO458 3.8 27.6 1.0
C C:PRO456 3.9 31.1 1.0
OH C:TYR173 3.9 31.5 1.0
O C:PRO456 4.1 39.2 1.0
CD C:ARG67 4.1 27.5 1.0
CB C:PRO456 4.1 26.7 1.0
CZ C:TYR173 4.2 32.6 1.0
CA C:PRO458 4.4 28.4 1.0
CD C:PRO458 4.5 29.1 1.0
CG C:ARG67 4.5 28.5 1.0
CA C:PRO456 4.6 27.8 1.0
CD1 C:TYR173 4.7 28.9 1.0
NH1 C:ARG67 4.9 29.3 1.0
CG C:PRO456 5.0 26.2 1.0
CG C:PRO458 5.0 22.3 1.0

Chlorine binding site 5 out of 6 in 7np8

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Chlorine binding site 5 out of 6 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1122

b:40.3
occ:1.00
 ND2 C:ASN163 3.0 36.3 1.0
NE C:ARG56 3.3 34.1 1.0
O C:HOH1225 3.3 28.0 1.0
O C:HOH1320 3.4 20.6 1.0
NH2 C:ARG56 3.4 38.5 1.0
CA C:CYS160 3.7 34.5 1.0
CZ C:ARG56 3.8 35.0 1.0
CB C:CYS160 3.9 38.3 1.0
CG C:ASN163 4.1 35.4 1.0
CB C:PRO55 4.1 25.6 1.0
CB C:ASN163 4.2 31.4 1.0
CD C:ARG56 4.4 33.2 1.0
CG C:PRO55 4.5 27.6 1.0
N C:CYS160 4.5 34.1 1.0
O C:PRO55 4.7 29.8 1.0
CE1 C:TYR336 4.7 34.5 1.0
O C:CYS160 4.7 33.4 1.0
C C:CYS160 4.8 31.9 1.0
O C:PRO159 4.9 41.3 1.0
SG C:CYS259 4.9 41.9 1.0
C C:PRO159 5.0 38.4 1.0
C C:PRO55 5.0 32.6 1.0
OH C:TYR336 5.0 41.5 1.0

Chlorine binding site 6 out of 6 in 7np8

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Chlorine binding site 6 out of 6 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution


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 the Coenzyme F420-Dependent Sulfite Reductase From Methanocaldococcus Jannaschii at 2.3-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1128

b:36.4
occ:1.00
 ND2 D:ASN163 3.1 39.3 1.0
NE D:ARG56 3.2 34.9 1.0
NH2 D:ARG56 3.2 38.1 1.0
O D:HOH1347 3.3 35.5 1.0
O D:HOH1278 3.4 33.8 1.0
CZ D:ARG56 3.7 37.9 1.0
CA D:CYS160 3.9 32.2 1.0
CB D:CYS160 4.0 31.4 1.0
CG D:ASN163 4.2 36.0 1.0
CB D:PRO55 4.3 23.9 1.0
CD D:ARG56 4.3 30.8 1.0
CB D:ASN163 4.4 30.5 1.0
CE2 D:TYR336 4.4 32.4 1.0
SG D:CYS259 4.6 33.4 1.0
N D:CYS160 4.6 33.2 1.0
CG D:PRO55 4.7 22.0 1.0
O D:PRO55 4.7 30.7 1.0
OH D:TYR336 4.8 40.1 1.0
O D:CYS160 4.9 32.7 1.0
C D:CYS160 4.9 31.2 1.0
CZ D:TYR336 4.9 36.4 1.0
NH1 D:ARG56 5.0 35.5 1.0
O D:PRO159 5.0 39.1 1.0

Reference:

M.Jespersen, T.Wagner. The Structure of the F420-Dependent Sulfite-Detoxifying Enzyme From Methanococcales Reveals A Prototypical Sulfite-Reductase with Assimilatory Traits. To Be Published.
Page generated: Tue Jul 30 00:58:51 2024

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