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Chlorine in PDB 6q62: Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine)

Enzymatic activity of Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine)

All present enzymatic activity of Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine):
2.5.1.15;

Protein crystallography data

The structure of Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine), PDB code: 6q62 was solved by A.A.Oliveira, M.Hyvonen, R.V.C.Guido, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.09 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 82.382, 74.553, 89.299, 90.00, 101.21, 90.00
R / Rfree (%) 21.1 / 23.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine) (pdb code 6q62). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine), PDB code: 6q62:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6q62

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Chlorine binding site 1 out of 4 in the Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:33.0
occ:1.00
 CL6 A:6GU401 0.0 33.0 1.0
C6 A:6GU401 1.6 21.8 1.0
N1 A:6GU401 2.5 18.6 1.0
C5 A:6GU401 2.5 20.2 1.0
O A:HOH513 2.7 10.4 1.0
NZ A:LYS226 2.8 22.4 1.0
N7 A:6GU401 3.1 20.5 1.0
O A:GLY222 3.2 11.4 1.0
CA A:GLY222 3.6 8.1 1.0
C2 A:6GU401 3.8 16.8 1.0
C4 A:6GU401 3.8 13.5 1.0
C A:GLY222 3.8 11.9 1.0
N A:GLY222 4.0 10.1 1.0
O A:PHE193 4.1 13.0 1.0
OD2 A:ASP190 4.1 15.7 1.0
CE1 A:PHE195 4.1 17.1 1.0
CE A:LYS226 4.1 17.0 1.0
O A:HOH584 4.2 18.3 1.0
N A:PHE193 4.3 10.8 1.0
OD1 A:ASP190 4.3 12.3 1.0
N3 A:6GU401 4.4 12.4 1.0
C8 A:6GU401 4.4 20.9 1.0
SD A:MET144 4.5 13.5 1.0
CA A:GLY192 4.6 8.2 1.0
CG A:ASP190 4.6 13.5 1.0
CD1 A:PHE195 4.6 17.4 1.0
C A:GLY192 4.7 13.7 1.0
N2 A:6GU401 4.8 20.1 1.0
N9 A:6GU401 4.8 18.1 1.0
C A:PHE193 4.9 13.1 1.0
CA A:PHE193 5.0 9.8 1.0

Chlorine binding site 2 out of 4 in 6q62

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Chlorine binding site 2 out of 4 in the Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:39.0
occ:1.00
 CL6 C:6GU401 0.0 39.0 1.0
C6 C:6GU401 1.6 29.1 1.0
N1 C:6GU401 2.5 24.1 1.0
C5 C:6GU401 2.5 25.9 1.0
O C:HOH507 2.7 17.6 1.0
NZ C:LYS226 2.8 23.2 1.0
N7 C:6GU401 3.1 26.1 1.0
O C:GLY222 3.2 19.0 1.0
CA C:GLY222 3.7 14.9 1.0
C2 C:6GU401 3.8 23.9 1.0
C4 C:6GU401 3.8 23.1 1.0
C C:GLY222 3.9 18.6 1.0
CE1 C:PHE195 4.0 36.2 1.0
O C:PHE193 4.0 19.4 1.0
OD2 C:ASP190 4.1 24.8 1.0
N C:GLY222 4.1 15.6 1.0
CE C:LYS226 4.2 25.9 1.0
N C:PHE193 4.2 18.8 1.0
O C:HOH566 4.3 24.8 1.0
OD1 C:ASP190 4.3 20.7 1.0
N3 C:6GU401 4.4 22.9 1.0
SD C:MET144 4.4 22.8 1.0
C8 C:6GU401 4.5 25.1 1.0
CA C:GLY192 4.6 18.7 1.0
CD1 C:PHE195 4.6 35.6 1.0
CG C:ASP190 4.6 23.0 1.0
C C:GLY192 4.7 22.8 1.0
N2 C:6GU401 4.7 22.1 1.0
N9 C:6GU401 4.8 24.5 1.0
C C:PHE193 4.9 21.0 1.0
CA C:PHE193 5.0 17.6 1.0

Chlorine binding site 3 out of 4 in 6q62

Go back to Chlorine Binding Sites List in 6q62
Chlorine binding site 3 out of 4 in the Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:34.6
occ:1.00
 CL6 B:6GU401 0.0 34.6 1.0
C6 B:6GU401 1.6 23.3 1.0
N1 B:6GU401 2.5 16.9 1.0
C5 B:6GU401 2.6 18.9 1.0
O B:HOH516 2.7 11.6 1.0
NZ B:LYS226 2.8 25.7 1.0
N7 B:6GU401 3.1 20.5 1.0
O B:GLY222 3.2 10.2 1.0
CA B:GLY222 3.7 5.3 1.0
C2 B:6GU401 3.8 15.0 1.0
C B:GLY222 3.8 10.2 1.0
C4 B:6GU401 3.8 16.9 1.0
CE1 B:PHE195 4.0 19.4 1.0
O B:PHE193 4.0 12.9 1.0
OD2 B:ASP190 4.0 14.6 1.0
N B:GLY222 4.1 7.4 1.0
CE B:LYS226 4.1 20.1 1.0
O B:HOH595 4.2 19.6 1.0
N B:PHE193 4.3 8.2 1.0
OD1 B:ASP190 4.3 11.4 1.0
N3 B:6GU401 4.4 13.5 1.0
SD B:MET144 4.4 12.3 1.0
C8 B:6GU401 4.5 18.2 1.0
CD1 B:PHE195 4.6 18.5 1.0
CG B:ASP190 4.6 14.6 1.0
CA B:GLY192 4.6 9.8 1.0
N2 B:6GU401 4.7 15.5 1.0
C B:GLY192 4.7 12.9 1.0
N9 B:6GU401 4.8 20.4 1.0
C B:PHE193 4.9 14.0 1.0

Chlorine binding site 4 out of 4 in 6q62

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Chlorine binding site 4 out of 4 in the Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:37.0
occ:1.00
 CL6 D:6GU401 0.0 37.0 1.0
C6 D:6GU401 1.6 27.5 1.0
N1 D:6GU401 2.5 18.7 1.0
C5 D:6GU401 2.6 22.5 1.0
O D:HOH506 2.7 12.6 1.0
NZ D:LYS226 2.8 23.8 1.0
N7 D:6GU401 3.2 23.5 1.0
O D:GLY222 3.2 11.8 1.0
CA D:GLY222 3.6 8.4 1.0
C2 D:6GU401 3.8 17.6 1.0
C D:GLY222 3.8 10.9 1.0
C4 D:6GU401 3.8 19.8 1.0
N D:GLY222 4.0 9.5 1.0
O D:PHE193 4.0 14.4 1.0
CE1 D:PHE195 4.0 22.4 1.0
OD2 D:ASP190 4.0 19.1 1.0
CE D:LYS226 4.1 18.8 1.0
O D:HOH578 4.3 17.1 1.0
N D:PHE193 4.3 11.1 1.0
OD1 D:ASP190 4.3 15.6 1.0
N3 D:6GU401 4.4 18.7 1.0
SD D:MET144 4.4 14.7 1.0
C8 D:6GU401 4.5 21.6 1.0
CA D:GLY192 4.6 11.0 1.0
CD1 D:PHE195 4.6 21.9 1.0
CG D:ASP190 4.6 16.3 1.0
C D:GLY192 4.7 14.3 1.0
N2 D:6GU401 4.7 15.8 1.0
N9 D:6GU401 4.8 23.0 1.0
C D:PHE193 4.9 16.3 1.0
CA D:PHE193 5.0 10.8 1.0

Reference:

A.A.Oliveira, M.Hyvonen, R.V.C.Guido. Xanthomonas Albilineans Dihydropteroate Synthase in Complex with (Indole-2-Carboxylic Acid) and (6-Chloroguanine) To Be Published.
Page generated: Mon Jul 29 13:46:50 2024

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