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Chlorine in PDB 6n7f: 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.

Enzymatic activity of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.

All present enzymatic activity of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.:
1.8.1.7;

Protein crystallography data

The structure of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad., PDB code: 6n7f was solved by G.Minasov, L.Shuvalova, I.G.Shabalin, M.Grabowski, A.Olphie, A.Cardona-Correa, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.47 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 76.400, 86.650, 86.670, 67.13, 74.15, 74.11
R / Rfree (%) 16.9 / 21

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. (pdb code 6n7f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad., PDB code: 6n7f:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in 6n7f

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Chlorine binding site 1 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:38.0
occ:1.00
 O A:HOH1050 3.1 28.7 1.0
NE A:ARG94 3.2 27.3 1.0
NH2 A:ARG94 3.5 29.5 1.0
CZ A:ARG94 3.8 28.0 1.0
CD1 A:TYR91 3.8 22.1 1.0
CE1 A:TYR91 3.9 22.4 1.0
CB B:ALA381 4.0 23.2 1.0
O B:ALA381 4.2 25.3 1.0
CD A:ARG94 4.2 27.6 1.0
CD B:ARG386 4.5 34.5 0.5
CA B:ALA381 4.6 23.6 1.0
CZ B:ARG386 4.6 35.9 0.5
NE B:ARG386 4.6 34.6 0.5
NH1 B:ARG386 4.7 36.3 0.5
NH1 B:ARG386 4.7 38.4 0.5
CB A:ARG94 4.8 25.2 1.0
NE B:ARG386 4.8 38.1 0.5
C B:ALA381 4.8 24.3 1.0
CD B:ARG386 4.9 32.2 0.5
O A:HOH643 4.9 27.6 1.0
CZ B:ARG386 4.9 38.8 0.5
CB B:THR376 4.9 24.7 1.0

Chlorine binding site 2 out of 17 in 6n7f

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Chlorine binding site 2 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:30.9
occ:1.00
 O A:HOH964 2.9 18.9 1.0
O A:HOH949 3.1 25.8 1.0
N A:GLY262 3.1 26.7 1.0
O A:HOH953 3.2 29.8 1.0
O A:HOH935 3.2 20.9 1.0
CA A:GLY262 3.4 25.9 1.0
O A:ALA260 3.6 22.1 1.0
C A:ALA260 3.7 22.2 1.0
O A:HOH831 3.7 21.7 1.0
C A:GLY262 3.9 25.5 1.0
CD1 A:ILE178 3.9 21.0 1.0
N A:ILE261 4.1 24.2 1.0
CA A:ALA260 4.1 20.4 1.0
C A:ILE261 4.1 27.2 1.0
O A:GLY262 4.3 32.0 1.0
CB A:ILE178 4.3 19.6 1.0
N A:ARG263 4.4 23.6 1.0
CB A:ALA260 4.4 19.7 1.0
CG1 A:ILE178 4.5 20.5 1.0
CA A:ILE261 4.6 26.2 1.0
CG A:ARG263 4.6 21.8 1.0
O A:HOH732 4.9 21.1 1.0
CG2 A:ILE178 4.9 20.0 1.0
O A:HOH879 4.9 37.2 1.0

Chlorine binding site 3 out of 17 in 6n7f

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Chlorine binding site 3 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:31.8
occ:1.00
 O A:HOH821 3.0 21.3 1.0
O A:HOH975 3.0 32.8 1.0
NH2 A:ARG319 3.4 26.3 1.0
ND2 A:ASN21 3.5 24.3 1.0
CB A:ASN21 4.0 24.1 1.0
CA A:ALA18 4.0 20.2 1.0
O A:HOH961 4.2 41.9 1.0
CG A:ASN21 4.2 24.5 1.0
CG2 A:ILE17 4.2 22.2 1.0
O A:ILE17 4.3 20.4 1.0
CZ A:ARG319 4.4 25.5 1.0
NE A:ARG319 4.4 24.1 1.0
N A:ALA18 4.5 19.6 1.0
C A:ILE17 4.6 20.3 1.0
CB A:ALA18 4.7 20.4 1.0
O A:ALA18 4.7 20.5 1.0
O A:HOH673 4.9 35.0 1.0
O A:HOH766 4.9 24.2 1.0
C A:ALA18 4.9 19.6 1.0

Chlorine binding site 4 out of 17 in 6n7f

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Chlorine binding site 4 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:30.4
occ:1.00
 N A:SER156 3.3 20.4 1.0
OG A:SER156 3.6 21.7 1.0
CA A:GLY159 3.6 21.7 1.0
N A:GLY159 3.6 21.9 1.0
CA A:ILE155 3.7 20.9 1.0
CB A:ILE155 3.8 21.0 1.0
C A:ILE155 4.0 20.6 1.0
CG2 A:ILE155 4.2 22.2 1.0
O A:HOH719 4.2 25.9 1.0
CZ A:PHE145 4.2 34.3 1.0
CA A:SER156 4.3 20.9 1.0
CB A:SER156 4.3 20.9 1.0
O A:SER156 4.6 20.5 1.0
C A:ASP158 4.6 22.0 1.0
CE1 A:PHE145 4.7 33.5 1.0
C A:SER156 4.8 19.9 1.0
CB A:ASP158 4.8 25.1 1.0

Chlorine binding site 5 out of 17 in 6n7f

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Chlorine binding site 5 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:30.8
occ:1.00
 O B:HOH870 2.8 26.9 1.0
O B:HOH958 3.0 32.5 1.0
O B:HOH917 3.1 26.9 1.0
O B:HOH897 3.1 21.7 1.0
N B:GLY262 3.2 22.6 1.0
CA B:GLY262 3.5 23.1 1.0
C B:ALA260 3.7 21.2 1.0
O B:ALA260 3.7 21.2 1.0
O B:HOH845 3.8 17.9 1.0
CD1 B:ILE178 3.8 23.0 1.0
C B:GLY262 3.9 23.7 1.0
O B:GLY262 4.0 22.8 1.0
CA B:ALA260 4.1 22.4 1.0
N B:ILE261 4.1 21.8 1.0
C B:ILE261 4.2 22.8 1.0
CB B:ALA260 4.2 22.7 1.0
CB B:ILE178 4.3 21.1 1.0
CG1 B:ILE178 4.5 21.3 1.0
N B:ARG263 4.6 24.1 1.0
CG B:ARG263 4.6 24.3 1.0
CA B:ILE261 4.6 21.9 1.0
CG2 B:ILE178 4.8 22.3 1.0
O B:HOH646 4.9 21.8 1.0
O B:HOH722 4.9 20.6 1.0
O B:HOH714 4.9 29.4 1.0
O B:HOH959 5.0 35.9 1.0

Chlorine binding site 6 out of 17 in 6n7f

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Chlorine binding site 6 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:28.8
occ:1.00
 OG B:SER205 2.9 24.0 1.0
O B:HOH825 3.3 17.1 1.0
N B:SER205 3.4 23.7 1.0
CA B:LEU203 3.5 21.2 1.0
C B:LEU203 3.6 22.0 1.0
N B:ARG204 3.7 22.5 1.0
CB B:SER205 3.7 24.1 1.0
CD1 B:PHE206 3.8 24.4 1.0
CE1 B:PHE206 3.8 25.4 1.0
CA B:SER205 4.1 24.5 1.0
O B:HOH866 4.2 20.6 1.0
O B:LEU203 4.2 21.9 1.0
CD2 B:LEU203 4.3 20.8 1.0
CB B:LEU203 4.3 21.0 1.0
C B:ARG204 4.4 23.3 1.0
N B:LEU203 4.6 20.6 1.0
CA B:ARG204 4.6 23.5 1.0
N B:PHE206 4.7 23.0 1.0
C B:SER205 4.8 23.8 1.0
CA B:GLY176 4.8 21.1 1.0
O B:ALA175 4.9 22.9 1.0

Chlorine binding site 7 out of 17 in 6n7f

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Chlorine binding site 7 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:36.0
occ:1.00
 O B:HOH681 3.0 27.4 1.0
O B:HOH942 3.0 36.8 1.0
ND2 B:ASN21 3.3 30.4 1.0
NH2 B:ARG319 3.5 32.2 1.0
CA B:ALA18 3.9 30.2 1.0
CB B:ASN21 4.0 31.9 1.0
CG B:ASN21 4.1 31.8 1.0
CG2 B:ILE17 4.3 29.8 1.0
O B:ILE17 4.4 31.3 1.0
N B:ALA18 4.4 29.9 1.0
CZ B:ARG319 4.4 30.4 1.0
NE B:ARG319 4.4 28.3 1.0
CB B:ALA18 4.6 30.5 1.0
C B:ILE17 4.6 30.4 1.0
O B:ALA18 4.6 30.5 1.0
O B:HOH824 4.7 31.1 1.0
C B:ALA18 4.8 30.4 1.0

Chlorine binding site 8 out of 17 in 6n7f

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Chlorine binding site 8 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:29.1
occ:1.00
 O B:HOH742 2.8 26.1 0.7
O B:HOH817 3.1 32.1 1.0
N B:LYS208 3.3 22.4 1.0
N B:GLU357 3.3 24.6 1.0
CB B:GLU357 3.5 27.4 1.0
OD2 B:ASP207 3.6 23.6 1.0
CA B:ASP207 3.7 21.6 1.0
CG B:ASP207 3.7 23.3 1.0
N B:GLU356 3.8 22.3 1.0
CB B:SER355 3.9 22.2 1.0
OD1 B:ASP207 3.9 26.6 1.0
CB B:GLU356 4.0 22.8 1.0
C B:ASP207 4.0 21.7 1.0
CB B:LYS208 4.0 23.3 0.3
CA B:GLU357 4.0 25.3 1.0
OG B:SER355 4.2 22.1 1.0
CB B:ASP207 4.2 22.4 1.0
CB B:LYS208 4.2 24.7 0.7
CA B:GLU356 4.2 23.3 1.0
C B:GLU356 4.2 23.5 1.0
O B:HOH742 4.3 17.0 0.3
CA B:LYS208 4.3 22.4 0.3
CA B:LYS208 4.3 22.8 0.7
C B:SER355 4.5 21.8 1.0
OE1 B:GLU357 4.6 33.0 1.0
CA B:SER355 4.7 21.4 1.0
N B:ASP207 4.8 21.6 1.0
NZ B:LYS392 4.8 23.9 1.0
CG B:GLU357 4.9 29.9 1.0
O B:HOH952 5.0 39.8 1.0

Chlorine binding site 9 out of 17 in 6n7f

Go back to Chlorine Binding Sites List in 6n7f
Chlorine binding site 9 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:28.4
occ:1.00
 OG C:SER205 2.9 23.7 1.0
O C:HOH810 3.3 18.8 1.0
N C:SER205 3.4 22.5 1.0
CA C:LEU203 3.5 20.2 1.0
C C:LEU203 3.6 20.8 1.0
N C:ARG204 3.7 21.0 1.0
CB C:SER205 3.7 23.3 1.0
CD1 C:PHE206 3.9 24.3 1.0
CE1 C:PHE206 3.9 24.9 1.0
CA C:SER205 4.1 23.6 1.0
O C:HOH868 4.1 20.2 1.0
O C:LEU203 4.2 20.0 1.0
CD2 C:LEU203 4.3 20.3 1.0
CB C:LEU203 4.3 20.1 1.0
C C:ARG204 4.5 22.9 1.0
N C:LEU203 4.5 20.0 1.0
CA C:ARG204 4.6 22.3 1.0
N C:PHE206 4.7 22.4 1.0
C C:SER205 4.8 23.1 1.0
CA C:GLY176 4.8 20.1 1.0
O C:ALA175 4.9 20.8 1.0

Chlorine binding site 10 out of 17 in 6n7f

Go back to Chlorine Binding Sites List in 6n7f
Chlorine binding site 10 out of 17 in the 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:30.9
occ:1.00
 O C:HOH758 2.8 34.4 1.0
O C:HOH806 3.0 35.5 1.0
N C:GLU357 3.3 24.0 1.0
N C:LYS208 3.3 23.1 1.0
CB C:GLU357 3.6 27.4 1.0
CA C:ASP207 3.6 22.1 1.0
OD2 C:ASP207 3.6 23.8 1.0
CG C:ASP207 3.7 23.6 1.0
N C:GLU356 3.7 21.2 1.0
CB C:GLU356 3.9 22.5 1.0
CB C:SER355 4.0 20.9 1.0
OD1 C:ASP207 4.0 25.6 1.0
C C:ASP207 4.0 22.1 1.0
CA C:GLU357 4.0 25.5 1.0
CB C:LYS208 4.1 26.4 1.0
CB C:ASP207 4.1 22.7 1.0
OG C:SER355 4.2 20.7 1.0
CA C:GLU356 4.2 22.3 1.0
C C:GLU356 4.2 22.7 1.0
CA C:LYS208 4.3 24.1 1.0
O C:HOH809 4.5 50.3 1.0
C C:SER355 4.5 20.9 1.0
CA C:SER355 4.7 20.1 1.0
OE1 C:GLU357 4.7 33.5 1.0
N C:ASP207 4.8 21.9 1.0
CG C:GLU357 4.9 30.4 1.0
NZ C:LYS392 4.9 22.3 1.0
O C:HOH929 5.0 38.4 1.0
N C:THR209 5.0 24.1 1.0

Reference:

G.Minasov, L.Shuvalova, I.G.Shabalin, M.Grabowski, A.Olphie, A.Cardona-Correa, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase From Streptococcus Pyogenes in Complex with Fad. To Be Published.
Page generated: Sun Jul 28 20:25:18 2024

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