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Chlorine in PDB 6xin: The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.

Enzymatic activity of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.

All present enzymatic activity of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.:
4.2.1.20;

Protein crystallography data

The structure of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site., PDB code: 6xin was solved by E.Hilario, C.Chang, L.J.Mueller, M.F.Dunn, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.98 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.3, 59.48, 67.165, 90, 94.82, 90
R / Rfree (%) 16.5 / 20.4

Other elements in 6xin:

The structure of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. also contains other interesting chemical elements:

Caesium (Cs) 3 atoms

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. (pdb code 6xin). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site., PDB code: 6xin:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 6xin

Go back to Chlorine Binding Sites List in 6xin
Chlorine binding site 1 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:42.2
occ:1.00
 OG1 A:THR94 3.0 22.5 1.0
N A:ILE95 3.3 18.7 1.0
N A:THR94 3.5 19.9 1.0
C A:HIS92 3.8 20.0 1.0
CB A:HIS92 3.8 18.6 1.0
CB A:ILE95 3.8 18.4 1.0
N A:PRO93 3.9 21.0 1.0
CD A:PRO93 3.9 23.0 1.0
CA A:HIS92 3.9 19.4 1.0
C A:THR94 4.0 19.0 1.0
CA A:THR94 4.0 20.1 1.0
CA A:ILE95 4.1 17.8 1.0
O A:HOH485 4.1 39.4 1.0
CB A:THR94 4.1 21.5 1.0
CG2 A:ILE95 4.1 18.1 1.0
O A:HIS92 4.3 21.3 1.0
O A:HOH457 4.3 36.8 1.0
O A:HOH547 4.3 45.3 1.0
C A:PRO93 4.5 20.7 1.0
CG A:PRO93 4.6 22.3 1.0
ND1 A:HIS92 4.6 18.6 1.0
CG A:HIS92 4.7 18.2 1.0
CA A:PRO93 4.7 21.0 1.0
CG2 A:THR94 4.9 23.1 1.0

Chlorine binding site 2 out of 16 in 6xin

Go back to Chlorine Binding Sites List in 6xin
Chlorine binding site 2 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:20.3
occ:1.00
 O1 A:EDO321 2.4 48.0 0.9
O A:GLY170 3.1 23.2 1.0
O A:ALA167 3.2 27.0 1.0
O A:HIS204 3.5 22.4 0.8
C1 A:EDO321 3.7 39.4 0.9
N A:ALA206 3.8 19.5 1.0
O A:HOH419 3.8 19.5 0.5
O A:HOH571 3.9 22.1 0.5
C2 A:EDO321 4.2 38.5 0.9
C A:ALA205 4.2 21.4 1.0
C A:GLY170 4.2 20.9 1.0
CD A:ARG171 4.3 27.6 1.0
CA A:ALA205 4.4 21.8 1.0
NH1 A:ARG171 4.4 28.5 1.0
C A:ALA167 4.5 26.0 1.0
O A:SER168 4.5 28.5 1.0
C A:HIS204 4.6 25.0 1.0
CA A:ALA206 4.6 19.4 1.0
CB A:ALA206 4.7 18.2 1.0
NE A:ARG171 4.9 29.9 1.0
CA A:ARG171 4.9 20.1 1.0
O A:ALA205 4.9 20.6 1.0
N A:ALA205 5.0 23.2 1.0

Chlorine binding site 3 out of 16 in 6xin

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Chlorine binding site 3 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:67.2
occ:1.00
 O A:HOH433 2.6 13.5 0.2
CD1 A:ILE153 3.8 20.6 1.0
O A:HOH427 4.0 39.3 1.0
CD1 A:LEU100 4.6 22.7 1.0
O B:HOH875 4.6 34.3 1.0
O A:ALA59 4.7 37.4 1.0
CD2 A:LEU100 4.7 23.9 0.9
CL A:CL306 4.7 32.2 0.5
OH A:TYR175 4.8 26.9 1.0
CL A:CL306 4.8 40.0 0.5
OD1 A:ASP60 4.9 44.0 1.0
CZ A:TYR175 5.0 23.9 1.0

Chlorine binding site 4 out of 16 in 6xin

Go back to Chlorine Binding Sites List in 6xin
Chlorine binding site 4 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:64.9
occ:1.00
 O A:VAL76 3.3 29.6 1.0
O B:HOH659 3.3 30.7 1.0
CD1 A:PHE72 3.4 32.2 0.5
CE1 A:PHE72 3.5 32.5 0.5
C A:VAL76 4.0 26.1 1.0
C A:GLY75 4.0 30.0 1.0
O A:GLY75 4.1 26.5 1.0
CG2 A:THR77 4.2 22.8 1.0
CE2 A:PHE72 4.3 35.7 0.5
N A:VAL76 4.4 26.9 1.0
CD2 A:PHE72 4.4 36.6 0.5
CA A:GLY75 4.4 30.9 1.0
CZ A:PHE72 4.5 35.6 0.5
O A:HOH596 4.6 44.9 0.7
N A:THR77 4.6 24.6 1.0
CG A:PHE72 4.6 36.2 0.5
CA A:THR77 4.6 23.0 1.0
CG A:PHE72 4.6 32.8 0.5
CE1 A:PHE72 4.7 34.8 0.5
O A:PHE72 4.7 42.6 0.5
O B:HOH633 4.8 29.8 1.0
CD1 A:PHE72 4.8 35.3 0.5
CZ A:PHE72 4.8 31.7 0.5
O A:PHE72 4.8 41.6 0.5
CA A:VAL76 4.9 26.4 1.0
CA A:PHE72 4.9 35.3 0.5
CA A:PHE72 5.0 36.7 0.5
CB A:THR77 5.0 23.3 1.0

Chlorine binding site 5 out of 16 in 6xin

Go back to Chlorine Binding Sites List in 6xin
Chlorine binding site 5 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:51.2
occ:0.60
 CB A:SER168 3.9 31.4 1.0
OG A:SER168 4.1 36.5 1.0
OH A:TYR169 4.1 51.6 1.0
O A:ARG164 4.2 26.2 1.0
CA A:GLN165 4.3 25.6 1.0
CZ A:TYR169 4.4 44.3 1.0
C A:ARG164 4.4 26.1 1.0
CG A:GLN165 4.5 30.6 1.0
N A:GLN165 4.6 26.0 1.0
CE1 A:TYR169 4.6 42.5 1.0
C2 A:DMS312 4.9 51.6 0.7
CB A:GLN165 5.0 28.2 1.0
O A:HOH581 5.0 45.0 1.0

Chlorine binding site 6 out of 16 in 6xin

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Chlorine binding site 6 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:32.2
occ:0.50
 CL A:CL306 0.0 32.2 0.5
CL A:CL306 2.1 40.0 0.5
OE1 A:GLU49 2.5 19.8 0.6
OH A:TYR175 2.7 26.9 1.0
CD A:GLU49 3.3 19.4 0.6
OE2 A:GLU49 3.5 20.1 0.6
CZ A:TYR175 3.6 23.9 1.0
CE2 A:TYR175 3.6 22.6 1.0
CD2 A:LEU100 4.0 23.9 0.9
CA A:GLY234 4.0 26.5 0.7
CD2 A:PHE22 4.2 19.5 1.0
CG2 A:ILE232 4.3 19.8 1.0
CB A:PHE22 4.3 18.5 1.0
CG A:PHE22 4.3 19.2 1.0
O A:HOH418 4.3 47.7 1.0
O A:GLY234 4.4 28.1 0.7
CL A:CL303 4.7 67.2 1.0
CG A:GLU49 4.7 18.4 0.6
CG A:GLU49 4.7 17.9 0.4
C A:GLY234 4.8 29.9 1.0
CE1 A:TYR175 4.8 22.9 1.0
CE2 A:PHE22 4.9 19.6 1.0
CD2 A:TYR175 5.0 20.3 1.0

Chlorine binding site 7 out of 16 in 6xin

Go back to Chlorine Binding Sites List in 6xin
Chlorine binding site 7 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:40.0
occ:0.50
 CL A:CL306 0.0 40.0 0.5
CL A:CL306 2.1 32.2 0.5
O A:GLY234 2.9 28.1 0.7
CD1 A:ILE64 3.5 37.4 1.0
CA A:GLY234 3.5 26.5 0.7
C A:GLY234 3.6 29.9 1.0
CG A:PHE22 4.0 19.2 1.0
CD2 A:LEU100 4.1 23.9 0.9
OH A:TYR175 4.1 26.9 1.0
OE1 A:GLU49 4.1 19.8 0.6
CD1 A:PHE22 4.2 20.1 1.0
CD2 A:PHE22 4.2 19.5 1.0
CB A:PHE22 4.4 18.5 1.0
O A:HOH418 4.5 47.7 1.0
OD1 A:ASP60 4.5 44.0 1.0
CE1 A:PHE22 4.6 20.6 1.0
CE2 A:PHE22 4.6 19.6 1.0
O A:HOH433 4.7 13.5 0.2
CZ A:PHE22 4.8 20.3 1.0
CL A:CL303 4.8 67.2 1.0
N A:SER235 4.9 29.8 1.0
N A:GLY234 4.9 24.9 0.7
CG1 A:ILE64 4.9 36.9 1.0
CD A:GLU49 5.0 19.4 0.6

Chlorine binding site 8 out of 16 in 6xin

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Chlorine binding site 8 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:39.4
occ:1.00
 O B:HOH842 3.0 42.9 1.0
N B:SER326 3.0 13.2 1.0
O B:HOH831 3.2 39.5 1.0
CB B:VAL325 3.5 12.9 1.0
CA B:VAL325 3.5 12.9 1.0
O B:SER326 3.6 13.2 1.0
OG B:SER326 3.7 15.6 1.0
C B:VAL325 3.7 13.1 1.0
O B:HOH716 3.7 18.6 1.0
O B:HOH657 3.9 15.6 1.0
CA B:SER326 4.0 13.2 1.0
O B:HOH635 4.0 20.1 1.0
CG1 B:VAL325 4.1 13.6 1.0
C B:SER326 4.2 13.1 1.0
O B:HOH838 4.3 36.5 1.0
CB B:SER326 4.4 14.3 1.0
CG2 B:VAL325 4.7 13.1 1.0
O B:HOH555 4.8 15.2 1.0
O B:VAL325 4.9 12.8 1.0
N B:VAL325 4.9 12.5 1.0

Chlorine binding site 9 out of 16 in 6xin

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Chlorine binding site 9 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:85.0
occ:1.00
 O B:HOH877 4.3 53.2 1.0
O B:HOH879 4.5 35.2 1.0
O B:HOH799 4.5 29.2 1.0
O B:HOH595 4.9 21.3 1.0

Chlorine binding site 10 out of 16 in 6xin

Go back to Chlorine Binding Sites List in 6xin
Chlorine binding site 10 out of 16 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:65.8
occ:1.00
 O B:HOH552 3.1 25.5 1.0
OD2 B:ASP38 3.3 23.5 1.0
CG B:ASP38 3.4 22.7 1.0
NH2 B:ARG100 3.6 18.9 1.0
CB B:ASP38 3.7 20.9 1.0
OD1 B:ASP38 3.8 22.3 1.0
O B:HOH603 4.3 36.8 0.7
O B:HOH530 4.4 42.4 1.0
CA B:ASP38 4.4 21.3 1.0
OG B:SER34 4.7 18.7 0.8
CZ B:ARG100 4.7 17.9 1.0
O B:SER34 4.9 17.4 0.2
NH1 B:ARG100 4.9 17.5 1.0
O B:SER34 5.0 18.3 0.8

Reference:

E.Hilario, C.Chang, L.J.Mueller, M.F.Dunn, L.Fan. The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2-Phenyldiazenylpropanamide at the Enzyme Alpha-Site. To Be Published.
Page generated: Mon Jul 29 17:15:17 2024

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