Chlorine in PDB 7npa: Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution

Enzymatic activity of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution

All present enzymatic activity of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution:
1.8.98.3;

Protein crystallography data

The structure of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution, PDB code: 7npa 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) 77.29 / 1.55
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 113.148, 124.157, 241.062, 102.28, 95.71, 90.25
R / Rfree (%) 15.9 / 17.1

Other elements in 7npa:

The structure of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution also contains other interesting chemical elements:

Iron (Fe) 408 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 29;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution (pdb code 7npa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 29 binding sites of Chlorine where determined in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution, PDB code: 7npa:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 29 in 7npa

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Chlorine binding site 1 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-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 Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1121

b:18.6
occ:1.00
 O A:HOH1541 3.2 12.7 1.0
O A:HOH1545 3.3 14.1 1.0
NE A:ARG56 3.4 12.4 1.0
NH2 A:ARG56 3.5 17.3 1.0
ND2 A:ASN163 3.5 13.5 1.0
CZ A:ARG56 3.9 15.6 1.0
CA A:CYS160 3.9 10.8 1.0
CB A:CYS160 4.0 11.6 1.0
O A:HOH1477 4.1 17.4 1.0
CB A:PRO55 4.3 12.7 1.0
CB A:ASN163 4.4 9.4 1.0
CG A:ASN163 4.5 9.0 1.0
CD A:ARG56 4.5 12.3 1.0
CG A:PRO55 4.5 12.4 1.0
N A:CYS160 4.7 11.0 1.0
SG A:CYS259 4.7 11.7 1.0
O A:PRO55 4.7 12.4 1.0
CE1 A:TYR336 4.7 11.0 1.0
OH A:TYR336 4.8 13.0 1.0
O A:CYS160 4.8 12.0 1.0
C A:CYS160 4.9 10.3 1.0
CG A:ARG56 4.9 13.3 1.0
CZ A:TYR336 5.0 11.3 1.0
C A:PRO55 5.0 15.0 1.0

Chlorine binding site 2 out of 29 in 7npa

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Chlorine binding site 2 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-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 Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1122

b:27.1
occ:0.72
 NE2 A:HIS584 2.4 9.4 0.5
OH A:TYR173 2.9 18.3 1.0
CD2 A:HIS584 3.0 13.4 0.5
NE A:ARG67 3.2 10.3 1.0
O A:HOH1715 3.4 44.5 1.0
C A:ALA457 3.4 14.7 1.0
CZ A:TYR173 3.5 12.1 1.0
CE1 A:HIS584 3.5 14.0 0.5
NH2 A:ARG67 3.6 9.8 1.0
O A:ALA457 3.6 11.9 1.0
CE1 A:TYR173 3.6 16.2 1.0
N A:PRO458 3.7 11.2 1.0
CD2 A:HIS584 3.7 36.8 0.5
O A:HOH1797 3.8 35.1 1.0
CZ A:ARG67 3.8 10.2 1.0
CA A:ALA457 3.8 9.6 1.0
N A:ALA457 3.9 9.0 1.0
CD A:PRO458 4.1 12.4 1.0
CA A:PRO458 4.2 10.4 1.0
CD A:ARG67 4.2 11.9 1.0
CG A:HIS584 4.2 10.8 0.5
CB A:PRO456 4.2 13.2 1.0
C A:PRO456 4.2 9.9 1.0
NE2 A:HIS584 4.3 30.5 0.5
O A:HOH1479 4.5 26.8 0.5
ND1 A:HIS584 4.5 20.6 0.5
CG A:ARG67 4.5 13.2 1.0
CG A:PRO458 4.6 12.3 1.0
CE2 A:TYR173 4.6 15.3 1.0
O A:PRO456 4.6 10.4 1.0
CD1 A:TYR173 4.8 12.2 1.0
CA A:PRO456 4.8 9.1 1.0
O A:HOH1311 4.9 21.8 1.0
CG A:HIS584 4.9 12.8 0.5

Chlorine binding site 3 out of 29 in 7npa

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Chlorine binding site 3 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-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 Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4228

b:21.4
occ:1.00
 O B:HOH4684 3.1 19.1 1.0
O B:HOH4554 3.2 16.1 1.0
NE B:ARG56 3.2 14.0 1.0
NH2 B:ARG56 3.4 18.6 1.0
ND2 B:ASN163 3.4 16.2 1.0
CZ B:ARG56 3.7 15.8 1.0
CA B:CYS160 3.9 12.4 1.0
CB B:CYS160 4.0 13.9 1.0
O B:HOH4560 4.1 25.2 1.0
CD B:ARG56 4.3 14.7 1.0
CB B:ASN163 4.4 16.2 1.0
CG B:ASN163 4.4 14.8 1.0
CB B:PRO55 4.4 14.6 1.0
CG B:PRO55 4.5 13.8 1.0
N B:CYS160 4.7 15.3 1.0
CE1 B:TYR336 4.7 13.9 1.0
SG B:CYS259 4.7 16.3 1.0
O B:PRO55 4.7 16.4 1.0
OH B:TYR336 4.8 16.8 1.0
O B:CYS160 4.8 14.4 1.0
CG B:ARG56 4.9 14.6 1.0
C B:CYS160 4.9 13.0 1.0
CZ B:TYR336 4.9 14.4 1.0

Chlorine binding site 4 out of 29 in 7npa

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Chlorine binding site 4 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-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 Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4229

b:28.2
occ:0.74
 NE2 B:HIS584 2.5 15.4 0.5
OH B:TYR173 2.8 22.3 1.0
NE B:ARG67 3.1 12.0 1.0
CD2 B:HIS584 3.2 22.7 0.5
C B:ALA457 3.4 11.8 1.0
CZ B:TYR173 3.4 14.4 1.0
O B:ALA457 3.4 12.9 1.0
CE1 B:TYR173 3.4 14.2 1.0
NH2 B:ARG67 3.5 12.7 1.0
CE1 B:HIS584 3.5 16.8 0.5
N B:PRO458 3.7 9.9 1.0
CZ B:ARG67 3.7 13.7 1.0
O B:HOH4666 3.8 36.7 1.0
CA B:ALA457 3.8 10.7 1.0
N B:ALA457 3.8 11.5 1.0
O B:HOH4867 3.9 48.6 1.0
ND1 B:HIS584 4.0 38.0 0.5
CD B:ARG67 4.1 16.3 1.0
CA B:PRO458 4.1 10.8 1.0
CD B:PRO458 4.2 11.7 1.0
CB B:PRO456 4.2 12.1 1.0
C B:PRO456 4.2 12.8 1.0
CG B:HIS584 4.4 22.5 0.5
CE1 B:HIS584 4.4 34.5 0.5
ND1 B:HIS584 4.5 20.2 0.5
CE2 B:TYR173 4.6 21.5 1.0
CG B:PRO458 4.6 15.1 1.0
CD1 B:TYR173 4.6 13.2 1.0
O B:PRO456 4.6 14.8 1.0
CG B:ARG67 4.6 13.2 1.0
CA B:PRO456 4.8 10.8 1.0
O B:HOH4363 4.9 26.7 1.0

Chlorine binding site 5 out of 29 in 7npa

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Chlorine binding site 5 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-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 Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl3921

b:19.8
occ:1.00
 O C:HOH4396 3.1 15.0 1.0
O C:HOH4370 3.2 17.6 1.0
NE C:ARG56 3.4 15.0 1.0
ND2 C:ASN163 3.4 16.6 1.0
NH2 C:ARG56 3.5 18.1 1.0
CA C:CYS160 3.9 11.0 1.0
CZ C:ARG56 3.9 20.6 1.0
CB C:CYS160 4.0 12.5 1.0
O C:HOH4449 4.1 21.4 1.0
CB C:PRO55 4.3 15.2 1.0
CG C:ASN163 4.4 18.3 1.0
CB C:ASN163 4.4 13.4 1.0
CD C:ARG56 4.4 15.2 1.0
CG C:PRO55 4.6 13.8 1.0
SG C:CYS259 4.7 13.1 1.0
N C:CYS160 4.7 12.9 1.0
CE1 C:TYR336 4.7 12.9 1.0
O C:PRO55 4.8 14.4 1.0
OH C:TYR336 4.8 13.7 1.0
O C:CYS160 4.9 15.1 1.0
C C:CYS160 4.9 13.8 1.0
CG C:ARG56 4.9 13.7 1.0
CZ C:TYR336 5.0 16.9 1.0

Chlorine binding site 6 out of 29 in 7npa

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Chlorine binding site 6 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-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 Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl3922

b:32.4
occ:0.84
 NE2 C:HIS584 2.4 10.7 0.5
OH C:TYR173 2.9 21.0 1.0
CD2 C:HIS584 2.9 24.6 0.5
NE C:ARG67 3.2 12.4 1.0
CZ C:TYR173 3.5 16.9 1.0
C C:ALA457 3.6 11.8 1.0
CE1 C:HIS584 3.6 11.3 0.5
NH2 C:ARG67 3.6 12.8 1.0
CE1 C:TYR173 3.6 12.9 1.0
O C:HOH4592 3.7 51.4 1.0
O C:HOH4596 3.7 34.2 1.0
CD2 C:HIS584 3.7 30.5 0.5
O C:ALA457 3.7 11.9 1.0
CZ C:ARG67 3.8 15.1 1.0
N C:PRO458 3.9 12.8 1.0
N C:ALA457 3.9 12.4 1.0
CA C:ALA457 3.9 12.9 1.0
CB C:PRO456 4.2 13.1 1.0
CD C:ARG67 4.2 13.4 1.0
CG C:HIS584 4.2 14.4 0.5
C C:PRO456 4.3 10.9 1.0
CD C:PRO458 4.3 15.3 1.0
NE2 C:HIS584 4.3 25.1 0.5
CA C:PRO458 4.3 13.7 1.0
CG C:ARG67 4.5 14.8 1.0
ND1 C:HIS584 4.5 18.9 0.5
CE2 C:TYR173 4.6 19.2 1.0
O C:PRO456 4.6 11.8 1.0
O C:HOH4440 4.7 51.1 1.0
CG C:PRO458 4.7 11.1 1.0
CD1 C:TYR173 4.7 13.4 1.0
CG C:HIS584 4.8 12.7 0.5
CA C:PRO456 4.8 11.4 1.0
O C:HOH4103 4.9 25.9 1.0

Chlorine binding site 7 out of 29 in 7npa

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Chlorine binding site 7 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution


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 the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl4623

b:21.8
occ:1.00
 O D:HOH5021 3.2 17.5 1.0
O D:HOH4921 3.2 17.4 1.0
NE D:ARG56 3.3 14.4 1.0
ND2 D:ASN163 3.4 20.1 1.0
NH2 D:ARG56 3.5 20.8 1.0
CA D:CYS160 3.9 15.7 1.0
CZ D:ARG56 3.9 17.8 1.0
CB D:CYS160 4.0 14.5 1.0
O D:HOH4979 4.1 23.0 1.0
CB D:PRO55 4.3 14.0 1.0
CB D:ASN163 4.4 15.5 1.0
CG D:ASN163 4.4 16.1 1.0
CD D:ARG56 4.4 20.2 1.0
CG D:PRO55 4.6 15.2 1.0
N D:CYS160 4.6 16.6 1.0
O D:PRO55 4.7 16.3 1.0
SG D:CYS259 4.7 18.4 1.0
CE1 D:TYR336 4.8 20.9 1.0
OH D:TYR336 4.8 16.0 1.0
O D:CYS160 4.9 14.6 1.0
C D:CYS160 4.9 17.3 1.0
CG D:ARG56 4.9 18.9 1.0

Chlorine binding site 8 out of 29 in 7npa

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Chlorine binding site 8 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl4624

b:29.9
occ:0.80
 NE2 D:HIS584 2.9 18.3 0.5
OH D:TYR173 3.0 20.0 1.0
NE D:ARG67 3.1 13.3 1.0
C D:ALA457 3.4 13.1 1.0
NH2 D:ARG67 3.5 12.2 1.0
O D:ALA457 3.5 13.5 1.0
CZ D:TYR173 3.5 13.5 1.0
CD2 D:HIS584 3.5 48.9 0.5
CE2 D:TYR173 3.6 16.2 1.0
CZ D:ARG67 3.7 12.2 1.0
N D:PRO458 3.8 10.0 1.0
CE1 D:HIS584 3.8 9.1 0.5
N D:ALA457 3.8 9.5 1.0
CA D:ALA457 3.8 13.9 1.0
CD D:ARG67 4.0 16.1 1.0
CB D:PRO456 4.1 18.3 1.0
C D:PRO456 4.1 13.4 1.0
CA D:PRO458 4.2 9.6 1.0
CD D:PRO458 4.3 9.3 1.0
CD2 D:HIS584 4.3 20.4 0.5
CG D:ARG67 4.3 15.1 1.0
O D:PRO456 4.5 12.5 1.0
CG D:HIS584 4.5 13.8 0.5
ND1 D:HIS584 4.6 23.1 0.5
CE1 D:TYR173 4.6 19.9 1.0
CG D:PRO458 4.7 15.2 1.0
CD2 D:TYR173 4.7 13.5 1.0
CA D:PRO456 4.7 11.5 1.0
CG D:PRO456 4.9 15.1 1.0
NH1 D:ARG67 5.0 11.8 1.0

Chlorine binding site 9 out of 29 in 7npa

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Chlorine binding site 9 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1120

b:25.8
occ:1.00
 O E:HOH1456 3.0 22.1 1.0
O E:HOH1565 3.2 22.8 1.0
NE E:ARG56 3.4 17.2 1.0
ND2 E:ASN163 3.4 18.9 1.0
NH2 E:ARG56 3.6 22.4 1.0
CB E:CYS160 3.8 17.9 1.0
CA E:CYS160 3.9 18.9 1.0
CZ E:ARG56 3.9 19.5 1.0
O E:HOH1579 4.1 27.6 1.0
CB E:PRO55 4.3 17.4 1.0
CG E:ASN163 4.4 20.7 1.0
CB E:ASN163 4.4 18.4 1.0
CD E:ARG56 4.4 20.6 1.0
CG E:PRO55 4.5 19.1 1.0
CE1 E:TYR336 4.7 19.4 1.0
SG E:CYS259 4.7 21.4 1.0
N E:CYS160 4.7 18.6 1.0
O E:PRO55 4.7 17.4 1.0
OH E:TYR336 4.7 17.5 1.0
CZ E:TYR336 4.9 20.3 1.0
O E:CYS160 4.9 15.4 1.0
C E:CYS160 4.9 19.6 1.0
CG E:ARG56 5.0 15.1 1.0

Chlorine binding site 10 out of 29 in 7npa

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Chlorine binding site 10 out of 29 in the Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Coenzyme F420-Dependent Sulfite Reductase From Methanothermococcus Thermolithotrophicus at 1.55-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1121

b:27.0
occ:0.70
 NE2 E:HIS584 2.5 21.0 0.5
OH E:TYR173 2.8 25.8 1.0
NE E:ARG67 3.1 16.1 1.0
CD2 E:HIS584 3.2 20.4 0.5
C E:ALA457 3.4 11.5 1.0
CZ E:TYR173 3.4 16.4 1.0
CE1 E:TYR173 3.5 15.9 1.0
O E:ALA457 3.5 14.4 1.0
NH2 E:ARG67 3.5 15.2 1.0
CE1 E:HIS584 3.5 16.3 0.5
CZ E:ARG67 3.7 13.8 1.0
N E:ALA457 3.7 13.4 1.0
N E:PRO458 3.8 10.3 1.0
CA E:ALA457 3.8 14.8 1.0
O E:HOH1735 3.8 35.8 1.0
O E:HOH1683 3.8 56.9 1.0
CD2 E:HIS584 3.8 16.6 0.5
C E:PRO456 4.1 13.8 1.0
CD E:ARG67 4.1 20.4 1.0
CB E:PRO456 4.2 16.6 1.0
CA E:PRO458 4.2 13.0 1.0
NE2 E:HIS584 4.4 16.9 0.5
CD E:PRO458 4.4 12.2 1.0
CG E:HIS584 4.4 11.0 0.5
CE2 E:TYR173 4.5 17.7 1.0
O E:PRO456 4.5 14.9 1.0
ND1 E:HIS584 4.5 26.2 0.5
CG E:ARG67 4.6 18.0 1.0
CD1 E:TYR173 4.6 12.1 1.0
CA E:PRO456 4.7 13.9 1.0
CG E:PRO458 4.8 16.5 1.0
O E:HOH1217 4.9 24.0 1.0
CG E:HIS584 5.0 16.5 0.5

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 00:59:38 2024

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