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Chlorine in PDB 6vfd: Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site

Enzymatic activity of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site

All present enzymatic activity of Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6vfd was solved by E.Hilario, L.Fan, M.F.Dunn, L.J.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.69 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.079, 59.340, 67.440, 90.00, 94.85, 90.00
R / Rfree (%) 19.5 / 22.4

Other elements in 6vfd:

The structure of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site also contains other interesting chemical elements:

Caesium (Cs) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site (pdb code 6vfd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6vfd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 6vfd

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Chlorine binding site 1 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl305

b:67.4
occ:1.00
 O A:HOH431 3.1 34.2 1.0
O A:ALA167 3.2 35.0 1.0
O A:GLY170 3.2 29.7 1.0
O A:HIS204 3.6 40.5 1.0
N A:ALA206 4.0 36.3 1.0
CD A:ARG171 4.1 32.5 0.7
NH2 A:ARG171 4.4 34.0 0.7
C A:ALA167 4.4 34.1 1.0
C A:GLY170 4.4 28.1 1.0
C A:ALA205 4.5 37.6 1.0
CA A:ALA205 4.5 38.5 1.0
O A:SER168 4.5 33.6 1.0
NE A:ARG171 4.6 34.5 0.7
CZ A:ARG171 4.7 34.6 0.7
C A:HIS204 4.7 41.3 1.0
CA A:ALA206 4.8 35.6 1.0
C A:SER168 4.9 32.6 1.0
CB A:ALA206 4.9 34.8 1.0
O A:HOH604 5.0 57.0 1.0

Chlorine binding site 2 out of 16 in 6vfd

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Chlorine binding site 2 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl306

b:66.1
occ:1.00
 O A:HOH546 2.9 55.2 1.0
O A:HOH528 3.6 28.1 0.5
O A:HOH523 3.6 53.5 1.0
O A:HOH528 3.7 24.4 0.5
CD1 A:ILE153 4.0 33.6 1.0
CD2 A:LEU100 4.2 28.8 1.0
O1 A:EDO302 4.4 37.0 1.0
CB A:ALA59 4.5 43.9 1.0
CG A:LEU100 4.6 28.0 1.0
C1 A:EDO302 4.7 35.8 1.0
CB A:ALA129 4.7 25.8 1.0
C2 A:EDO302 4.7 33.8 1.0
O A:ALA59 4.8 45.8 1.0
OH A:TYR175 4.9 36.0 1.0

Chlorine binding site 3 out of 16 in 6vfd

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Chlorine binding site 3 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl417

b:60.1
occ:1.00
 O B:GLN36 3.3 26.1 1.0
CD B:GLN42 3.7 23.1 1.0
OE1 B:GLN42 3.7 21.9 1.0
NE2 B:GLN42 4.0 23.0 1.0
CG B:GLN42 4.1 24.0 1.0
O B:HOH561 4.2 34.9 1.0
C B:GLN36 4.3 24.3 1.0
NE2 B:GLN36 4.3 22.2 1.0
OE1 B:GLN36 4.4 23.2 1.0
CD B:GLN36 4.4 21.6 1.0
CA B:GLN36 4.5 22.1 1.0
O B:HOH617 4.6 25.4 1.0
CB B:GLN36 4.7 22.1 1.0
O B:HOH890 4.8 47.7 1.0
CL B:CL426 4.9 72.7 1.0

Chlorine binding site 4 out of 16 in 6vfd

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Chlorine binding site 4 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl418

b:71.0
occ:1.00
 O B:HOH893 4.6 41.5 1.0
O B:HOH953 4.6 34.0 1.0
O B:HOH936 4.7 42.0 1.0
O B:HOH539 4.7 22.2 1.0
O B:HOH842 4.8 25.8 1.0
O B:HOH967 5.0 44.0 1.0
O B:HOH939 5.0 25.1 1.0

Chlorine binding site 5 out of 16 in 6vfd

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Chlorine binding site 5 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl419

b:34.0
occ:1.00
 O B:ASP225 3.0 18.1 1.0
O B:SER249 3.0 22.4 1.0
O B:HOH904 3.1 46.1 1.0
O B:HOH572 3.3 27.1 1.0
O B:HOH879 3.9 48.4 1.0
C B:ASP225 3.9 17.5 1.0
N B:GLY251 4.0 17.1 1.0
CA B:ASP225 4.2 18.6 1.0
C B:SER249 4.2 22.7 1.0
CB B:ASP225 4.3 19.8 1.0
CL B:CL428 4.4 66.5 1.0
O B:HOH695 4.4 29.1 1.0
O B:HOH922 4.5 23.5 1.0
CA B:GLY251 4.6 16.8 1.0
OD1 B:ASP225 4.7 23.0 1.0
O B:HOH908 4.7 26.3 1.0
C B:VAL250 4.8 17.8 1.0
CA B:VAL250 4.9 18.5 1.0
O B:HOH834 4.9 32.5 1.0

Chlorine binding site 6 out of 16 in 6vfd

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Chlorine binding site 6 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl420

b:56.2
occ:1.00
 O B:HOH776 2.8 39.1 1.0
O B:HIS273 3.8 23.4 1.0
C B:GLY274 3.9 23.9 1.0
O B:GLY274 4.0 24.8 1.0
CG B:ARG275 4.0 26.0 1.0
CD B:ARG275 4.0 28.3 1.0
O B:HOH582 4.0 44.9 1.0
CA B:GLY274 4.1 24.4 1.0
NE B:ARG275 4.2 29.0 1.0
N B:ARG275 4.3 23.3 1.0
O B:HOH755 4.3 37.4 1.0
CB B:ARG275 4.4 25.4 1.0
C B:HIS273 4.7 20.2 1.0
N B:GLY274 4.9 25.2 1.0
O B:GLN288 4.9 26.7 1.0
CA B:ARG275 5.0 23.0 1.0

Chlorine binding site 7 out of 16 in 6vfd

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Chlorine binding site 7 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl421

b:47.6
occ:1.00
 O B:HOH958 2.6 14.9 0.3
O B:HOH720 2.9 18.2 1.0
O B:HOH533 2.9 25.7 1.0
O B:HOH958 3.9 24.8 0.7
CE1 B:HIS357 4.0 15.2 1.0
NE2 B:HIS357 4.1 13.8 1.0
OE1 B:GLU364 4.2 19.9 1.0
O B:HOH906 4.3 26.5 1.0
O B:HOH590 4.3 39.6 1.0
O B:HOH884 4.5 33.1 1.0
CG B:MET361 4.5 15.3 1.0
O B:HOH954 4.7 22.7 1.0
O B:HOH914 4.9 27.6 1.0
O B:HOH573 5.0 18.1 1.0

Chlorine binding site 8 out of 16 in 6vfd

Go back to Chlorine Binding Sites List in 6vfd
Chlorine binding site 8 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl422

b:60.6
occ:1.00
 O B:HOH952 2.6 44.6 1.0
CA B:ARG321 3.7 16.5 1.0
O B:HOH796 3.7 35.8 1.0
CB B:ARG321 3.8 15.7 1.0
O B:HOH812 3.8 41.8 1.0
O B:ILE319 3.9 16.4 1.0
O B:HOH672 3.9 54.4 1.0
N B:ARG321 3.9 16.0 1.0
CD B:ARG321 4.0 17.1 1.0
C B:GLY320 4.1 16.6 1.0
O B:GLY320 4.1 17.5 1.0
CG B:ARG321 4.5 16.2 1.0
C B:ILE319 4.8 15.7 1.0
CD1 B:ILE319 5.0 17.0 1.0
CA B:GLY320 5.0 16.3 1.0

Chlorine binding site 9 out of 16 in 6vfd

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Chlorine binding site 9 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl423

b:62.6
occ:1.00
 O B:ARG150 3.7 28.9 1.0
C B:ARG150 4.0 29.1 1.0
CA B:LEU151 4.0 28.9 1.0
N B:LEU151 4.1 28.6 1.0
CD2 B:LEU151 4.2 30.0 1.0
CB B:ARG150 4.5 31.7 1.0
CG B:LEU151 4.6 30.0 1.0
CE1 B:PHE147 4.6 37.1 1.0
CB B:LEU151 4.9 28.6 1.0
CA B:ARG150 4.9 29.5 1.0
O B:HOH883 5.0 61.2 1.0

Chlorine binding site 10 out of 16 in 6vfd

Go back to Chlorine Binding Sites List in 6vfd
Chlorine binding site 10 out of 16 in the Tryptophan Synthase Mutant Q114A in Complex with 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 Mutant Q114A in Complex with 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:Cl424

b:77.4
occ:1.00
 CB B:GLU155 3.6 35.2 1.0
CG B:GLU155 3.7 37.1 1.0
CA B:GLU155 4.2 33.1 1.0
CD B:GLU155 4.2 39.3 1.0
OE1 B:GLU155 4.5 39.1 1.0
O B:HOH863 4.6 55.0 1.0
O B:HOH713 4.6 37.0 1.0
O B:HOH830 4.7 50.9 1.0
OE2 B:GLU155 4.7 42.8 1.0
NZ B:LYS129 4.7 36.0 1.0
N B:GLU155 4.8 31.2 1.0
O B:HOH615 4.9 29.3 0.5

Reference:

E.Hilario, L.Fan, M.F.Dunn, L.J.Mueller. Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site. To Be Published.
Page generated: Mon Jul 29 16:17:03 2024

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