Chlorine in PDB 6o1h: Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site

Enzymatic activity of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site

All present enzymatic activity of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site:
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6o1h was solved by E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.31 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.749, 60.720, 67.210, 90.00, 94.63, 90.00
R / Rfree (%) 15.4 / 19.9

Other elements in 6o1h:

The structure of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Caesium (Cs) 5 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Chlorine atom in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site (pdb code 6o1h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 24 binding sites of Chlorine where determined in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6o1h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 24 in 6o1h

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Chlorine binding site 1 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:73.7
occ:1.00
 O A:HOH683 4.1 35.8 1.0
O A:HOH727 4.3 45.7 1.0
O A:HOH747 4.4 41.9 1.0
O B:HOH511 4.5 56.3 1.0
O B:HOH894 4.6 43.0 1.0
O B:HOH886 4.6 48.7 1.0
O B:HOH734 4.7 58.2 1.0
O A:HOH703 4.8 40.8 1.0
O A:HOH750 4.8 39.9 1.0
O A:HOH596 4.9 31.0 1.0

Chlorine binding site 2 out of 24 in 6o1h

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Chlorine binding site 2 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:39.0
occ:0.50
 CL A:CL407 0.0 39.0 0.5
CL A:CL407 2.2 46.1 0.5
O A:HOH628 2.9 43.3 1.0
O A:SER180 3.7 26.8 1.0
CA A:GLY181 3.8 27.1 1.0
NH1 A:ARG179 4.0 28.2 1.0
CB A:ASN187 4.3 45.0 1.0
C A:SER180 4.3 27.0 1.0
CD A:ARG179 4.4 29.9 1.0
N A:GLY181 4.4 26.6 1.0
O A:HOH742 4.5 45.4 1.0
O B:HOH706 4.5 34.4 1.0
CZ A:ARG179 4.6 29.4 1.0
CA B:GLY179 4.6 27.2 1.0
O A:HOH616 4.6 62.1 1.0
O B:GLY179 4.7 27.7 1.0
NE A:ARG179 4.7 29.7 1.0
N A:VAL182 4.9 25.7 1.0
C A:GLY181 4.9 27.1 1.0
O A:HOH644 4.9 52.1 1.0
OG A:SER180 4.9 31.5 1.0

Chlorine binding site 3 out of 24 in 6o1h

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Chlorine binding site 3 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:46.1
occ:0.50
 CL A:CL407 0.0 46.1 0.5
CL A:CL407 2.2 39.0 0.5
OG A:SER180 3.0 31.5 1.0
O A:SER180 3.4 26.8 1.0
O B:GLY179 3.4 27.7 1.0
C A:SER180 3.6 27.0 1.0
CA B:GLY179 3.8 27.2 1.0
C1 B:DMS403 4.0 32.3 1.0
N A:GLY181 4.0 26.6 1.0
C B:GLY179 4.1 26.8 1.0
O A:HOH719 4.1 56.1 1.0
CB A:SER180 4.1 28.9 1.0
CA A:GLY181 4.1 27.1 1.0
O A:HOH565 4.3 51.8 1.0
CA A:SER180 4.3 27.5 1.0
O A:HOH616 4.6 62.1 1.0
N A:SER180 4.7 27.7 1.0
CD A:ARG179 4.8 29.9 1.0
O A:HOH628 4.8 43.3 1.0
S B:DMS403 4.8 31.2 1.0

Chlorine binding site 4 out of 24 in 6o1h

Go back to Chlorine Binding Sites List in 6o1h
Chlorine binding site 4 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl410

b:63.2
occ:1.00
 O B:HOH942 3.4 49.3 1.0
O B:HOH842 3.8 36.6 0.5
O B:HOH821 3.9 35.6 1.0
CB B:ALA214 3.9 19.6 1.0
CG B:GLN215 4.1 18.1 1.0
O B:GLU211 4.2 18.4 1.0
CA B:GLU211 4.2 18.2 1.0
CG B:GLU211 4.3 18.8 1.0
CB B:GLU211 4.4 18.7 1.0
CD B:GLN215 4.6 19.1 1.0
C B:GLU211 4.7 17.9 1.0
CB B:PRO56 4.7 19.4 1.0
O B:HOH842 4.7 31.0 0.5
O B:HOH863 4.8 54.3 1.0
NE2 B:GLN215 4.8 20.3 1.0
O B:HOH948 4.9 54.5 1.0
N B:GLN215 4.9 19.2 1.0
CG B:PRO56 5.0 20.8 1.0

Chlorine binding site 5 out of 24 in 6o1h

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Chlorine binding site 5 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:34.6
occ:0.50
 CL B:CL411 0.0 34.6 0.5
CL B:CL411 2.0 58.1 0.5
O B:HOH784 2.9 50.9 1.0
NE B:ARG100 3.1 26.2 1.0
OG B:SER34 3.5 28.5 1.0
CB B:SER34 3.6 26.1 1.0
CA B:ALA31 3.8 24.2 1.0
CD B:ARG100 3.9 25.8 1.0
CZ B:ARG100 4.0 25.3 1.0
NH2 B:ARG100 4.0 26.8 1.0
CG B:ARG100 4.0 24.6 1.0
CB B:ALA31 4.2 25.5 1.0
O B:ALA31 4.4 24.5 1.0
C B:ALA31 4.6 23.4 1.0
O B:HOH596 4.7 35.2 1.0
N B:ALA31 4.7 24.4 1.0
O B:GLU30 4.7 24.4 1.0

Chlorine binding site 6 out of 24 in 6o1h

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Chlorine binding site 6 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:58.1
occ:0.50
 CL B:CL411 0.0 58.1 0.5
CL B:CL411 2.0 34.6 0.5
O B:HOH784 3.1 50.9 1.0
O B:HOH769 3.2 48.6 1.0
O B:HOH596 3.6 35.2 1.0
CB B:ALA31 3.8 25.5 1.0
O B:ARG100 3.9 27.9 1.0
CG B:ARG100 4.0 24.6 1.0
CA B:ALA31 4.0 24.2 1.0
NE B:ARG100 4.3 26.2 1.0
CD B:ARG100 4.4 25.8 1.0
C B:ARG100 4.5 24.5 1.0
CG B:MET101 4.5 27.5 1.0
CA B:MET101 4.8 27.8 1.0
N B:ALA31 4.8 24.4 1.0
CB B:ARG100 4.9 25.1 1.0
N B:MET101 4.9 24.9 1.0

Chlorine binding site 7 out of 24 in 6o1h

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Chlorine binding site 7 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl412

b:49.9
occ:0.58
 CL B:CL412 0.0 49.9 0.6
CL B:CL412 1.8 37.7 0.4
O B:GLN36 3.4 29.7 1.0
OE1 B:GLN42 3.7 26.9 1.0
CD B:GLN42 3.7 26.6 1.0
O B:HOH936 3.9 52.8 1.0
CG B:GLN42 4.0 25.3 1.0
NE2 B:GLN42 4.1 25.0 1.0
C B:GLN36 4.4 25.3 1.0
OE1 B:GLN36 4.4 26.7 1.0
NE2 B:GLN36 4.5 25.8 1.0
O B:HOH569 4.6 28.8 1.0
CD B:GLN36 4.6 24.2 1.0
O B:HOH549 4.6 36.9 1.0
CA B:GLN36 4.7 23.8 1.0
O B:HOH822 4.7 47.0 1.0
CB B:GLN36 4.9 23.7 1.0

Chlorine binding site 8 out of 24 in 6o1h

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Chlorine binding site 8 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl412

b:37.7
occ:0.42
 CL B:CL412 0.0 37.7 0.4
CL B:CL412 1.8 49.9 0.6
O B:HOH878 3.3 53.1 1.0
NE2 B:GLN36 3.5 25.8 1.0
O B:GLN36 3.6 29.7 1.0
O B:HOH549 3.8 36.9 1.0
CD B:GLN36 3.9 24.2 1.0
O B:HOH785 4.0 51.5 1.0
CB B:GLN36 4.1 23.7 1.0
OE1 B:GLN36 4.3 26.7 1.0
C B:GLN36 4.4 25.3 1.0
CA B:GLN36 4.5 23.8 1.0
CG B:GLN36 4.6 23.0 1.0
O B:HOH898 4.6 39.2 0.5
OE1 B:GLN42 5.0 26.9 1.0
CD B:GLN42 5.0 26.6 1.0
O B:HOH569 5.0 28.8 1.0
NE2 B:GLN42 5.0 25.0 1.0

Chlorine binding site 9 out of 24 in 6o1h

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Chlorine binding site 9 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl413

b:51.1
occ:0.50
 CL B:CL413 0.0 51.1 0.5
CL B:CL413 1.6 58.8 0.5
O B:HOH580 3.8 29.7 1.0
O B:HOH649 4.1 32.4 1.0
O B:HOH846 4.1 35.9 1.0
CE2 B:TYR8 4.4 21.6 1.0
CZ B:TYR8 4.5 21.7 1.0
CD2 B:TYR8 4.5 20.3 1.0
O B:HOH885 4.6 43.1 1.0
CE1 B:TYR8 4.6 21.3 1.0
CG B:TYR8 4.7 19.8 1.0
CD1 B:TYR8 4.7 20.7 1.0
O A:HOH511 4.8 48.6 1.0
OH B:TYR8 5.0 22.3 1.0
O B:HOH934 5.0 51.5 1.0

Chlorine binding site 10 out of 24 in 6o1h

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Chlorine binding site 10 out of 24 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl413

b:58.8
occ:0.50
 CL B:CL413 0.0 58.8 0.5
CL B:CL413 1.6 51.1 0.5
O B:HOH580 3.4 29.7 1.0
CG B:TYR8 3.6 19.8 1.0
CD1 B:TYR8 3.6 20.7 1.0
O B:HOH622 3.7 40.6 1.0
O B:GLY10 3.7 21.3 1.0
CD2 B:TYR8 3.9 20.3 1.0
CE1 B:TYR8 4.0 21.3 1.0
CB B:TYR8 4.1 19.3 1.0
CE2 B:TYR8 4.2 21.6 1.0
CZ B:TYR8 4.2 21.7 1.0
O B:HOH815 4.3 61.9 1.0
O B:HOH649 4.5 32.4 1.0
CA B:GLU11 4.6 20.8 1.0
O B:HOH885 4.7 43.1 1.0
C B:GLY10 4.7 19.9 1.0
O B:HOH545 4.8 47.6 1.0
O B:GLU11 4.9 21.6 1.0
C B:GLU11 5.0 19.5 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan. Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and [3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl] -Serine (Pls) at the Beta-Site. To Be Published.
Page generated: Sat Dec 12 13:25:39 2020

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