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Chlorine in PDB 3r77: Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic

Enzymatic activity of Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic

All present enzymatic activity of Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic:
3.3.2.1;

Protein crystallography data

The structure of Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic, PDB code: 3r77 was solved by Q.A.Li, D.V.Mavrodi, L.S.Thomashow, M.Roessle, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.480, 72.100, 78.940, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 19.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic (pdb code 3r77). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic, PDB code: 3r77:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3r77

Go back to Chlorine Binding Sites List in 3r77
Chlorine binding site 1 out of 4 in the Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:26.7
occ:1.00
 O A:HOH436 3.0 34.7 1.0
O A:HOH425 3.1 37.0 1.0
O A:HOH407 3.1 22.1 1.0
N A:ALA11 3.2 22.3 1.0
CA A:TYR10 3.7 23.6 1.0
CB A:TYR10 3.8 24.9 1.0
CB A:ALA11 3.9 23.0 1.0
C A:TYR10 3.9 23.1 1.0
CD A:LYS182 4.1 31.1 1.0
CA A:ALA11 4.1 22.5 1.0
O A:HOH252 4.5 43.1 1.0
O A:ALA11 4.7 22.1 1.0
O A:HOH261 4.8 23.9 1.0
O A:PRO9 4.9 27.2 1.0
C A:ALA11 4.9 22.6 1.0
N A:TYR10 4.9 25.7 1.0
O A:HOH362 4.9 34.7 1.0
CE A:LYS182 5.0 33.1 1.0

Chlorine binding site 2 out of 4 in 3r77

Go back to Chlorine Binding Sites List in 3r77
Chlorine binding site 2 out of 4 in the Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:28.9
occ:1.00
 O A:HOH245 3.0 36.8 1.0
N A:THR121 3.1 22.7 1.0
N A:ASP132 3.3 22.9 1.0
CB A:SER131 3.6 22.2 1.0
CA A:SER131 3.6 23.3 1.0
CA A:LEU120 3.7 22.8 1.0
CB A:ASP132 3.8 23.8 1.0
CD2 A:LEU120 3.9 29.8 1.0
C A:LEU120 3.9 23.5 1.0
C A:SER131 4.0 22.5 1.0
CA A:THR121 4.0 23.8 1.0
CB A:THR121 4.0 25.6 1.0
CB A:LEU120 4.0 21.6 1.0
O A:THR121 4.1 23.4 1.0
O A:HOH389 4.1 47.0 1.0
OG1 A:THR121 4.1 26.2 1.0
CA A:ASP132 4.2 23.4 1.0
C A:THR121 4.5 22.1 1.0
O A:HOH357 4.5 31.1 1.0
CG A:LEU120 4.6 23.3 1.0
OG A:SER131 4.6 20.6 1.0
O A:LEU119 4.7 24.6 1.0
O A:ASN130 4.8 23.6 1.0
N A:LEU120 4.9 22.1 1.0
N A:SER131 5.0 22.8 1.0

Chlorine binding site 3 out of 4 in 3r77

Go back to Chlorine Binding Sites List in 3r77
Chlorine binding site 3 out of 4 in the Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl208

b:27.8
occ:1.00
 O B:HOH354 3.2 25.1 1.0
N B:ALA11 3.2 26.1 1.0
CA B:TYR10 3.6 24.4 1.0
CB B:TYR10 3.6 24.5 1.0
CD B:LYS182 3.8 39.7 1.0
C B:TYR10 3.9 24.7 1.0
NZ B:LYS182 4.0 44.1 1.0
CB B:ALA11 4.1 26.3 1.0
CA B:ALA11 4.2 25.9 1.0
CE B:LYS182 4.5 39.6 1.0
O B:ALA11 4.7 22.9 1.0
O B:HOH291 4.7 38.6 1.0
CG B:LYS182 4.8 32.0 1.0
O B:PRO9 4.8 24.7 1.0
N B:TYR10 4.9 25.1 1.0
C B:ALA11 4.9 24.9 1.0
CG B:TYR10 5.0 22.4 1.0

Chlorine binding site 4 out of 4 in 3r77

Go back to Chlorine Binding Sites List in 3r77
Chlorine binding site 4 out of 4 in the Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the D38A Mutant of Isochorismatase Phzd From Pseudomonas Fluorescens 2-79 in Complex with 2-Amino-2- Desoxyisochorismate Adic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl209

b:33.3
occ:1.00
 O B:HOH294 2.9 24.2 1.0
N B:THR121 3.1 24.1 1.0
N B:ASP132 3.2 26.1 1.0
CA B:LEU120 3.7 24.7 1.0
CA B:SER131 3.7 26.6 1.0
CD2 B:LEU120 3.8 33.9 1.0
CB B:ASP132 3.8 27.9 1.0
CB B:SER131 3.8 27.5 1.0
C B:LEU120 3.9 25.6 1.0
C B:SER131 4.0 27.1 1.0
CB B:LEU120 4.0 24.1 1.0
CB B:THR121 4.0 28.8 1.0
CA B:THR121 4.1 28.2 1.0
OG1 B:THR121 4.1 32.1 1.0
CA B:ASP132 4.2 28.0 1.0
O B:THR121 4.2 28.1 1.0
O B:LEU119 4.6 29.7 1.0
CG B:LEU120 4.6 28.7 1.0
O B:HOH396 4.6 31.5 1.0
C B:THR121 4.7 26.9 1.0
OG B:SER131 4.8 27.8 1.0
O B:ASN130 4.9 27.1 1.0
N B:LEU120 4.9 26.1 1.0
NH2 B:ARG136 4.9 37.1 1.0

Reference:

Q.A.Li, D.V.Mavrodi, L.S.Thomashow, M.Roessle, W.Blankenfeldt. Ligand Binding Induces An Ammonia Channel in 2-Amino-2-Desoxyisochorismate (Adic) Synthase Phze. J.Biol.Chem. V. 286 18213 2011.
ISSN: ISSN 0021-9258
PubMed: 21454481
DOI: 10.1074/JBC.M110.183418
Page generated: Fri Jul 11 09:44:19 2025

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