Chlorine in PDB 6b4o: 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad

Enzymatic activity of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad

All present enzymatic activity of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad:
1.8.1.7; 3.3.1.1;

Protein crystallography data

The structure of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad, PDB code: 6b4o was solved by G.Minasov, Z.Warwzak, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.98 / 1.73
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.686, 152.613, 98.531, 90.00, 94.97, 90.00
R / Rfree (%) 16.2 / 19.5

Other elements in 6b4o:

The structure of 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad also contains other interesting chemical elements:

Magnesium (Mg) 11 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad (pdb code 6b4o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad, PDB code: 6b4o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in 6b4o

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Chlorine binding site 1 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:28.2
occ:1.00
 O A:HOH846 2.9 23.0 0.3
O A:HOH1009 3.0 35.8 1.0
O A:HOH773 3.0 22.9 1.0
ND2 A:ASN20 3.3 21.2 1.0
NH2 A:ARG318 3.4 23.4 1.0
CA A:ALA17 3.8 19.5 1.0
CB A:ASN20 3.9 21.0 1.0
CG A:ASN20 4.1 21.3 1.0
CG2 A:ILE16 4.3 20.3 1.0
O A:ILE16 4.3 20.5 1.0
CZ A:ARG318 4.4 22.9 1.0
N A:ALA17 4.4 19.2 1.0
NE A:ARG318 4.4 22.5 1.0
CB A:ALA17 4.4 19.6 1.0
C A:ILE16 4.6 19.7 1.0
O A:ALA17 4.6 19.4 1.0
O A:HOH846 4.7 31.9 0.7
O A:HOH844 4.8 21.6 1.0
C A:ALA17 4.8 19.5 1.0
O A:HOH822 4.8 19.8 1.0
O A:HOH1053 4.9 33.5 1.0
O A:HOH933 4.9 23.3 1.0

Chlorine binding site 2 out of 20 in 6b4o

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Chlorine binding site 2 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:31.6
occ:1.00
 O A:HOH938 3.0 43.0 1.0
N A:ASP207 3.2 27.9 1.0
NZ A:LYS356 3.2 45.5 1.0
N A:LYS356 3.3 32.8 1.0
N A:GLU355 3.6 27.4 1.0
CG A:ASP207 3.7 32.6 1.0
CB A:ASP207 3.7 31.2 1.0
CG A:LYS356 3.8 41.1 1.0
CB A:THR354 3.8 27.9 1.0
OD2 A:ASP206 3.8 28.2 1.0
CB A:LYS356 3.9 39.0 1.0
OD2 A:ASP207 3.9 34.1 1.0
CB A:GLU355 3.9 30.3 1.0
CA A:ASP206 3.9 26.4 1.0
CG A:ASP206 4.0 27.3 1.0
CA A:GLU355 4.1 29.0 1.0
OD1 A:ASP207 4.1 33.2 1.0
CE A:LYS356 4.1 46.2 1.0
C A:ASP206 4.1 26.6 1.0
CA A:ASP207 4.1 28.8 1.0
OG1 A:THR354 4.2 28.5 1.0
C A:GLU355 4.2 30.8 1.0
CA A:LYS356 4.2 35.4 1.0
OD1 A:ASP206 4.3 28.0 1.0
C A:THR354 4.3 26.4 1.0
CD A:LYS356 4.5 45.1 1.0
CB A:ASP206 4.5 26.4 1.0
CA A:THR354 4.6 26.3 1.0
O A:HOH811 4.7 40.8 1.0
CG2 A:THR354 4.8 28.6 1.0
CG A:GLU355 4.8 32.4 1.0
O A:PHE205 4.9 26.8 1.0

Chlorine binding site 3 out of 20 in 6b4o

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Chlorine binding site 3 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:40.3
occ:1.00
 O A:HOH1012 2.7 33.9 1.0
N A:GLY261 3.0 33.6 1.0
O A:HOH988 3.3 23.1 1.0
C A:GLY259 3.5 33.4 1.0
O A:HOH1003 3.5 37.7 1.0
CA A:GLY261 3.5 31.3 1.0
O A:GLY259 3.6 34.6 1.0
CA A:GLY259 3.8 31.6 1.0
O A:HOH640 3.8 27.7 1.0
N A:THR260 3.8 34.9 1.0
C A:GLY261 3.9 29.9 1.0
CD1 A:ILE177 4.0 28.3 1.0
C A:THR260 4.1 35.4 1.0
O A:GLY261 4.2 29.8 1.0
CA A:THR260 4.4 36.7 1.0
O A:HOH691 4.5 25.0 1.0
O A:HOH841 4.5 30.5 1.0
CG A:ARG262 4.5 26.1 1.0
N A:ARG262 4.5 27.7 1.0
CB A:ILE177 4.6 26.0 1.0
CG1 A:ILE177 4.7 26.8 1.0
O A:HOH645 4.9 30.1 1.0
O A:HOH1060 5.0 39.7 1.0
CD A:ARG262 5.0 25.7 1.0

Chlorine binding site 4 out of 20 in 6b4o

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Chlorine binding site 4 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:38.8
occ:1.00
 O A:HOH1070 3.1 45.3 1.0
O A:HOH1044 3.1 38.5 1.0
N A:ARG197 3.2 33.7 1.0
N A:ALA174 3.5 27.1 1.0
CG A:ARG197 3.6 42.9 1.0
CA A:PHE196 3.7 29.2 1.0
C A:GLY173 3.7 26.5 1.0
CA A:GLY173 3.7 26.0 1.0
CB A:ALA174 3.7 28.5 1.0
CB A:ARG197 3.8 39.9 1.0
CB A:PHE196 3.8 28.3 1.0
C A:PHE196 3.9 31.7 1.0
CA A:ARG197 4.1 37.3 1.0
N A:GLY173 4.2 25.9 1.0
CA A:ALA174 4.2 27.3 1.0
O A:HOH910 4.3 40.4 1.0
CD A:ARG197 4.3 46.5 1.0
O A:GLY173 4.4 26.1 1.0
O A:HOH802 4.4 33.6 1.0
O A:HOH1050 4.5 44.7 1.0
O A:HOH684 4.6 38.5 1.0
O A:ALA195 4.8 26.6 1.0
NE A:ARG197 4.9 50.5 1.0
O A:HOH940 4.9 36.8 1.0
N A:PHE196 5.0 28.3 1.0

Chlorine binding site 5 out of 20 in 6b4o

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Chlorine binding site 5 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:26.6
occ:1.00
 NZ B:LYS356 3.0 29.3 0.4
O B:HOH1004 3.1 34.9 0.5
N B:ASP207 3.2 23.7 1.0
N B:LYS356 3.3 29.1 0.4
N B:LYS356 3.3 29.6 0.6
NZ B:LYS356 3.5 33.0 0.6
CG B:LYS356 3.5 33.2 0.6
N B:GLU355 3.6 25.8 1.0
CE B:LYS356 3.7 30.1 0.4
CG B:LYS356 3.7 29.4 0.4
CB B:THR354 3.7 24.1 1.0
CG B:ASP207 3.8 28.8 1.0
CB B:LYS356 3.8 30.2 0.4
OD2 B:ASP206 3.8 24.8 1.0
CB B:LYS356 3.8 31.8 0.6
CB B:GLU355 3.9 28.4 1.0
CB B:ASP207 3.9 27.0 1.0
CA B:ASP206 3.9 22.6 1.0
OD1 B:ASP207 3.9 29.8 1.0
CG B:ASP206 4.0 23.9 1.0
C B:ASP206 4.1 22.3 1.0
CA B:GLU355 4.1 28.0 1.0
OG1 B:THR354 4.1 24.9 1.0
OD2 B:ASP207 4.1 31.5 1.0
CA B:LYS356 4.1 30.1 0.4
CA B:ASP207 4.2 24.4 1.0
C B:GLU355 4.2 28.9 1.0
CA B:LYS356 4.2 31.0 0.6
CD B:LYS356 4.3 29.8 0.4
CE B:LYS356 4.4 33.5 0.6
C B:THR354 4.4 24.6 1.0
CD B:LYS356 4.4 34.0 0.6
OD1 B:ASP206 4.4 24.1 1.0
CB B:ASP206 4.5 22.8 1.0
CA B:THR354 4.6 23.7 1.0
CG2 B:THR354 4.6 23.5 1.0
O B:HOH604 4.7 40.4 1.0
O B:PHE205 4.8 22.3 1.0
O B:HOH677 4.9 30.2 1.0
CG B:GLU355 4.9 30.2 1.0

Chlorine binding site 6 out of 20 in 6b4o

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Chlorine binding site 6 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:28.0
occ:1.00
 OG B:SER204 2.9 23.1 1.0
O B:HOH967 3.0 19.8 1.0
O B:HOH957 3.5 31.1 1.0
N B:SER204 3.5 23.1 1.0
CA B:LEU202 3.6 21.4 1.0
N B:ARG203 3.7 22.9 1.0
CB B:SER204 3.7 23.9 1.0
C B:LEU202 3.7 21.9 1.0
CD1 B:PHE205 3.9 21.6 1.0
CE1 B:PHE205 3.9 21.6 1.0
CA B:SER204 4.2 23.5 1.0
CA B:GLY175 4.3 20.1 1.0
O B:ALA174 4.3 23.6 1.0
O B:LEU202 4.4 21.3 1.0
N B:LEU202 4.4 21.3 1.0
CD2 B:LEU202 4.5 21.4 1.0
C B:ARG203 4.5 24.0 1.0
CB B:LEU202 4.6 21.6 1.0
CA B:ARG203 4.6 24.5 1.0
O B:HOH1102 4.7 26.1 1.0
N B:PHE205 4.8 21.9 1.0
O B:HOH1094 4.9 37.4 1.0
C B:SER204 4.9 23.0 1.0
O B:HOH681 4.9 41.4 1.0
C B:ALA174 5.0 21.9 1.0
N B:TYR176 5.0 19.6 1.0

Chlorine binding site 7 out of 20 in 6b4o

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Chlorine binding site 7 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:31.6
occ:1.00
 O B:HOH1000 2.7 35.0 1.0
N B:GLY261 3.0 27.5 1.0
O B:HOH996 3.2 29.3 1.0
O B:HOH1005 3.2 45.5 1.0
CA B:GLY261 3.4 28.3 1.0
C B:GLY259 3.5 23.3 1.0
O B:HOH1052 3.5 38.5 1.0
CA B:GLY259 3.7 22.6 1.0
N B:THR260 3.7 24.9 1.0
O B:GLY259 3.8 23.6 1.0
C B:GLY261 3.8 28.2 1.0
O B:HOH773 3.8 24.4 1.0
CD1 B:ILE177 3.9 22.4 1.0
O B:GLY261 4.0 29.2 1.0
C B:THR260 4.1 26.7 1.0
O B:HOH855 4.2 24.1 1.0
O B:HOH853 4.3 26.6 1.0
CB B:ILE177 4.3 20.9 1.0
CG B:ARG262 4.4 25.8 1.0
CA B:THR260 4.4 25.9 1.0
N B:ARG262 4.4 26.6 1.0
CG1 B:ILE177 4.6 21.6 1.0
O B:HOH1094 4.8 37.4 1.0
CG2 B:ILE177 4.8 21.3 1.0
CD B:ARG262 4.8 25.5 1.0
O B:HOH665 4.9 24.4 1.0

Chlorine binding site 8 out of 20 in 6b4o

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Chlorine binding site 8 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl509

b:30.6
occ:1.00
 O B:HOH1012 3.0 36.8 1.0
O B:HOH737 3.0 19.2 1.0
ND2 B:ASN20 3.2 21.7 1.0
NH2 B:ARG318 3.5 25.1 1.0
CA B:ALA17 3.8 19.1 1.0
CB B:ASN20 3.9 22.0 1.0
CG B:ASN20 4.0 22.3 1.0
O B:ILE16 4.2 19.3 1.0
CG2 B:ILE16 4.2 19.8 1.0
N B:ALA17 4.4 18.9 1.0
CZ B:ARG318 4.4 24.1 1.0
NE B:ARG318 4.4 23.9 1.0
CB B:ALA17 4.5 18.8 1.0
C B:ILE16 4.5 19.0 1.0
O B:ALA17 4.6 19.8 1.0
O B:HOH983 4.7 28.6 1.0
O B:HOH832 4.7 25.8 1.0
C B:ALA17 4.7 19.8 1.0
O B:HOH1078 4.7 48.5 1.0
O B:HOH735 4.9 26.6 1.0

Chlorine binding site 9 out of 20 in 6b4o

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Chlorine binding site 9 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl510

b:29.5
occ:1.00
 O B:HOH1057 2.9 27.8 1.0
O B:HOH1036 3.0 34.1 1.0
N B:ARG197 3.2 24.4 0.7
N B:ARG197 3.2 23.6 0.3
O B:HOH890 3.3 39.2 1.0
CG B:ARG197 3.5 25.5 0.3
N B:ALA174 3.5 21.2 1.0
CG B:ARG197 3.6 29.4 0.7
CB B:ALA174 3.7 22.3 1.0
CA B:PHE196 3.7 21.1 1.0
CA B:GLY173 3.7 20.2 1.0
C B:GLY173 3.8 20.9 1.0
CB B:ARG197 3.8 28.1 0.7
CB B:PHE196 3.8 20.5 1.0
CB B:ARG197 3.8 25.5 0.3
CD B:ARG197 3.9 31.3 0.7
C B:PHE196 4.0 22.6 1.0
NE B:ARG197 4.0 26.5 0.3
CD B:ARG197 4.1 26.1 0.3
CA B:ARG197 4.1 26.4 0.7
CA B:ARG197 4.1 25.1 0.3
CA B:ALA174 4.2 21.2 1.0
N B:GLY173 4.3 19.9 1.0
O B:HOH878 4.4 30.0 1.0
O B:GLY173 4.6 21.2 1.0
O B:HOH910 4.6 39.0 1.0
O B:HOH723 4.6 20.8 1.0
NE B:ARG197 4.6 33.2 0.7
CZ B:ARG197 4.9 27.0 0.3
O B:HOH823 5.0 27.5 1.0

Chlorine binding site 10 out of 20 in 6b4o

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Chlorine binding site 10 out of 20 in the 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis 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 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl511

b:48.2
occ:1.00
 O B:HOH1112 2.7 28.8 1.0
ND1 B:HIS345 2.9 27.7 1.0
O B:HOH616 3.0 42.9 1.0
CA B:PRO346 3.6 18.2 1.0
CA B:HIS345 3.7 19.8 1.0
CG B:HIS345 3.7 24.4 1.0
CB B:HIS345 3.8 22.4 1.0
OG B:SER57 3.9 18.6 0.6
CE1 B:HIS345 3.9 28.0 1.0
CZ2 B:TRP53 3.9 20.2 1.0
CD B:PRO347 4.0 17.2 1.0
N B:PRO346 4.2 18.6 1.0
O B:THR344 4.3 17.6 1.0
C B:HIS345 4.3 19.6 1.0
CB B:PRO346 4.4 18.5 1.0
NE1 B:TRP53 4.4 19.2 1.0
O B:HOH626 4.4 45.2 1.0
OG B:SER57 4.4 18.8 0.4
CE2 B:TRP53 4.4 19.3 1.0
C B:PRO346 4.5 17.5 1.0
OE1 B:GLU60 4.5 37.0 1.0
CB B:SER57 4.6 18.4 0.6
N B:PRO347 4.7 17.0 1.0
O B:HOH657 4.7 28.6 0.6
N B:HIS345 4.8 18.5 1.0
O B:HOH901 4.8 23.5 0.5
CH2 B:TRP53 4.9 20.0 1.0
CB B:SER57 4.9 18.4 0.4
CG B:PRO347 4.9 16.9 1.0
CD2 B:HIS345 4.9 27.2 1.0
NE2 B:HIS345 5.0 27.4 1.0
C B:THR344 5.0 17.7 1.0

Reference:

G.Minasov, Z.Warwzak, L.Shuvalova, I.Dubrovska, A.Cardona-Correa, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase From Enterococcus Faecalis in Complex with Fad. To Be Published.
Page generated: Sat Dec 12 12:45:25 2020

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