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

Go back to Chlorine Binding Sites List in 7np8
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

Go back to Chlorine Binding Sites List in 7np8
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

Go back to Chlorine Binding Sites List in 7np8
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

Go back to Chlorine Binding Sites List in 7np8
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

Go back to Chlorine Binding Sites List in 7np8
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

Go back to Chlorine Binding Sites List in 7np8
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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy