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Chlorine in PDB 4as3: Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form

Enzymatic activity of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form

All present enzymatic activity of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form:
3.1.3.75;

Protein crystallography data

The structure of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form, PDB code: 4as3 was solved by L.Infantes, L.H.Otero, A.Albert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 119.60 / 2.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 165.343, 69.591, 119.569, 90.00, 90.00, 90.00
R / Rfree (%) 17.731 / 24.947

Other elements in 4as3:

The structure of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form (pdb code 4as3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form, PDB code: 4as3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4as3

Go back to Chlorine Binding Sites List in 4as3
Chlorine binding site 1 out of 4 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1329

b:47.7
occ:1.00
 OG A:SER266 2.8 29.2 1.0
O A:HOH2014 2.8 34.4 1.0
O A:HOH2011 3.2 20.4 1.0
NZ A:LYS242 3.2 21.8 1.0
C6 A:BTB1330 3.3 42.6 1.0
O A:HOH2012 3.3 26.6 1.0
C5 A:BTB1330 3.3 43.6 1.0
CB A:ALA167 3.3 21.5 1.0
CB A:SER266 3.5 27.2 1.0
CE A:LYS242 3.7 20.4 1.0
OD1 A:ASP31 3.7 29.9 1.0
O1 A:BTB1330 3.7 35.1 1.0
OD1 A:ASP267 3.8 29.5 1.0
C1 A:BTB1330 3.9 32.4 1.0
O6 A:BTB1330 4.1 48.5 1.0
N A:ALA167 4.1 26.2 1.0
CA A:ALA167 4.4 25.1 1.0
CG A:ASP31 4.4 28.0 1.0
N A:BTB1330 4.4 41.6 1.0
MG A:MG1328 4.4 30.6 1.0
CG A:ASP267 4.5 28.9 1.0
OD2 A:ASP267 4.6 27.1 1.0
OD2 A:ASP31 4.6 24.8 1.0
CA A:SER266 4.7 26.0 1.0
C2 A:BTB1330 4.7 34.2 1.0
C A:SER266 4.8 26.5 1.0
O A:HOH2013 4.8 41.3 1.0
OG1 A:THR263 4.9 27.5 1.0
CB A:THR263 4.9 25.1 1.0
O A:SER266 5.0 27.5 1.0

Chlorine binding site 2 out of 4 in 4as3

Go back to Chlorine Binding Sites List in 4as3
Chlorine binding site 2 out of 4 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1329

b:46.0
occ:1.00
 O B:HOH2014 2.5 44.0 1.0
OG B:SER266 2.7 33.0 1.0
NZ B:LYS242 3.1 22.3 1.0
O B:HOH2013 3.1 16.2 1.0
O B:HOH2015 3.3 29.4 1.0
CB B:ALA167 3.4 22.9 1.0
C6 B:BTB1330 3.4 47.4 1.0
CE B:LYS242 3.5 21.2 1.0
CB B:SER266 3.6 34.0 1.0
C5 B:BTB1330 3.6 46.7 1.0
OD1 B:ASP31 3.7 26.4 1.0
OD1 B:ASP267 3.8 30.1 1.0
N B:ALA167 4.1 24.8 1.0
O3 B:BTB1330 4.3 44.2 1.0
O6 B:BTB1330 4.3 49.6 1.0
MG B:MG1328 4.4 18.4 1.0
CG B:ASP31 4.4 26.8 1.0
CA B:ALA167 4.4 26.9 1.0
C3 B:BTB1330 4.5 41.0 1.0
CG B:ASP267 4.5 31.2 1.0
OD2 B:ASP31 4.6 27.4 1.0
C B:SER266 4.6 32.0 1.0
O B:HOH2016 4.7 26.5 1.0
OG1 B:THR263 4.7 28.1 1.0
CA B:SER266 4.7 34.3 1.0
OD2 B:ASP267 4.8 28.5 1.0
O B:SER266 4.9 32.3 1.0
N B:ASP267 4.9 29.2 1.0
N B:BTB1330 4.9 46.5 1.0
CB B:THR263 4.9 26.9 1.0
O B:HOH2017 5.0 24.9 1.0
CD B:LYS242 5.0 21.3 1.0

Chlorine binding site 3 out of 4 in 4as3

Go back to Chlorine Binding Sites List in 4as3
Chlorine binding site 3 out of 4 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1329

b:67.6
occ:1.00
 O C:HOH2009 3.0 24.3 1.0
O C:HOH2010 3.1 39.3 1.0
NZ C:LYS242 3.1 23.7 1.0
OG C:SER266 3.3 39.2 1.0
OD1 C:ASP31 3.4 37.7 1.0
CB C:ALA167 3.4 24.4 1.0
C6 C:BTB1330 3.4 57.4 1.0
CE C:LYS242 3.5 26.7 1.0
C5 C:BTB1330 3.7 52.2 1.0
MG C:MG1328 3.8 26.2 1.0
N C:ALA167 3.8 25.3 1.0
CB C:SER266 3.8 30.6 1.0
OD1 C:ASP267 3.9 33.1 1.0
CG C:ASP31 4.1 32.2 1.0
O6 C:BTB1330 4.1 61.8 1.0
O C:HOH2008 4.1 35.7 1.0
C3 C:BTB1330 4.1 38.1 1.0
O3 C:BTB1330 4.2 38.2 1.0
CA C:ALA167 4.2 28.9 1.0
OD2 C:ASP31 4.3 40.4 1.0
CG C:ASP267 4.6 35.5 1.0
OD2 C:ASP267 4.6 38.5 1.0
N C:BTB1330 4.8 50.2 1.0
C C:SER166 4.9 29.8 1.0
OG1 C:THR263 5.0 33.1 1.0
O C:HOH2011 5.0 36.3 1.0

Chlorine binding site 4 out of 4 in 4as3

Go back to Chlorine Binding Sites List in 4as3
Chlorine binding site 4 out of 4 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Orthorhombic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1329

b:46.2
occ:1.00
 OG D:SER266 2.6 33.8 1.0
O D:HOH2022 2.9 35.0 1.0
O D:HOH2019 3.1 26.4 1.0
NZ D:LYS242 3.1 24.8 1.0
CB D:SER266 3.4 30.5 1.0
O D:HOH2020 3.4 23.3 1.0
CB D:ALA167 3.6 24.5 1.0
C6 D:BTB1330 3.6 46.9 1.0
C5 D:BTB1330 3.7 46.0 1.0
CE D:LYS242 3.8 23.0 1.0
OD1 D:ASP31 3.8 30.3 1.0
OD1 D:ASP267 4.0 25.5 1.0
MG D:MG1328 4.2 22.8 1.0
C3 D:BTB1330 4.2 31.0 1.0
OD2 D:ASP267 4.2 26.1 1.0
O6 D:BTB1330 4.4 45.0 1.0
CG D:ASP267 4.4 26.5 1.0
O3 D:BTB1330 4.4 31.0 1.0
CG D:ASP31 4.5 27.9 1.0
N D:ALA167 4.5 25.0 1.0
C D:SER266 4.5 31.2 1.0
O D:HOH2021 4.6 26.0 1.0
CA D:SER266 4.6 30.4 1.0
OG1 D:THR263 4.6 27.1 1.0
CA D:ALA167 4.7 25.9 1.0
OD2 D:ASP31 4.7 27.6 1.0
CB D:THR263 4.8 27.1 1.0
N D:ASP267 4.8 27.7 1.0
O D:SER266 4.8 29.1 1.0
N D:BTB1330 4.9 43.3 1.0
CD D:LYS242 5.0 22.9 1.0

Reference:

L.Infantes, L.H.Otero, P.R.Beassoni, C.Boetsch, A.T.Lisa, C.E.Domenech, A.Albert. The Structural Domains of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase Cooperate in Substrate Hydrolysis: 3D Structure and Enzymatic Mechanism. J.Mol.Biol. V. 423 503 2012.
ISSN: ISSN 0022-2836
PubMed: 22922065
DOI: 10.1016/J.JMB.2012.07.024
Page generated: Sun Jul 21 09:24:31 2024

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