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Iodine in PDB 4as2: Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form

Enzymatic activity of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form

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

Protein crystallography data

The structure of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form, PDB code: 4as2 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) 95.29 / 2.12
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 136.006, 156.633, 71.816, 90.00, 118.03, 90.00
R / Rfree (%) 15.4 / 21

Other elements in 4as2:

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

Magnesium (Mg) 4 atoms
Chlorine (Cl) 4 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Iodine atom in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form (pdb code 4as2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 13 binding sites of Iodine where determined in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form, PDB code: 4as2:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 13 in 4as2

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Iodine binding site 1 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1330

b:19.6
occ:0.80
 O A:HOH2175 3.4 17.3 1.0
O B:HOH2104 3.6 17.3 1.0
N A:ALA236 3.6 14.7 1.0
N B:ALA236 3.6 17.3 1.0
CA B:PRO235 3.8 16.7 1.0
CA A:PRO235 3.8 16.3 1.0
CB B:PRO235 4.1 18.0 1.0
CA B:GLY241 4.1 14.4 1.0
CB A:PRO235 4.1 17.4 1.0
CA A:GLY241 4.1 12.1 1.0
O A:ALA236 4.1 15.5 1.0
C B:PRO235 4.2 17.5 1.0
C A:PRO235 4.2 15.8 1.0
O B:ALA236 4.3 16.0 1.0
CA A:ALA236 4.5 14.1 1.0
CB B:ALA244 4.6 11.3 1.0
CB A:ALA236 4.6 12.4 1.0
CA B:ALA236 4.6 16.6 1.0
CB A:ALA244 4.7 12.0 1.0
CB B:ALA236 4.7 16.9 1.0
N B:GLY241 4.8 13.8 1.0
C A:ALA236 4.8 13.6 1.0
C B:ALA236 4.8 15.8 1.0
N A:GLY241 4.9 12.7 1.0
CB B:THR234 4.9 15.2 1.0
CG2 A:THR234 4.9 15.7 1.0
CB A:THR234 5.0 18.2 1.0

Iodine binding site 2 out of 13 in 4as2

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Iodine binding site 2 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1331

b:28.8
occ:0.70
 NE2 A:GLN243 3.3 23.9 1.0
O A:HOH2199 3.4 28.2 1.0
NE2 B:GLN243 3.7 23.7 1.0
CG A:GLN243 4.0 15.8 1.0
CG B:GLN243 4.0 17.0 1.0
CD A:GLN243 4.1 20.5 1.0
CD1 B:LEU247 4.2 13.9 1.0
CD B:GLN243 4.3 25.2 1.0
CD1 A:LEU247 4.3 11.3 1.0
O A:HOH2179 4.3 30.3 1.0
O B:HOH2118 4.7 36.7 1.0
CD2 B:LEU247 4.8 14.5 1.0
CD2 A:LEU247 4.9 12.4 1.0
CG B:LEU247 4.9 14.7 1.0
CG A:LEU247 5.0 12.4 1.0

Iodine binding site 3 out of 13 in 4as2

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Iodine binding site 3 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1332

b:25.5
occ:0.40
 O A:HOH2139 3.1 33.7 1.0
CG A:LYS111 3.9 15.3 1.0
CD A:LYS111 3.9 13.2 1.0
CE A:LYS111 4.0 12.7 1.0
CG A:MET175 4.1 13.0 1.0
CD2 A:LEU224 4.1 18.8 1.0
O A:HOH2064 4.3 5.6 1.0
CB A:LYS111 4.4 15.3 1.0
CA A:MET175 4.7 13.5 1.0
O A:HOH2136 4.7 16.1 1.0
CB A:MET175 4.8 13.0 1.0
NZ A:LYS111 4.9 13.4 1.0

Iodine binding site 4 out of 13 in 4as2

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Iodine binding site 4 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1337

b:28.9
occ:0.30
 CG A:PRO180 4.0 18.1 1.0
CB A:PRO180 4.1 19.9 1.0
CD A:PRO180 4.4 18.7 1.0
OD1 A:ASP179 4.9 14.8 1.0

Iodine binding site 5 out of 13 in 4as2

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Iodine binding site 5 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1330

b:22.1
occ:0.30
 O B:HOH2079 3.6 28.0 1.0
CG B:LYS111 3.8 23.2 1.0
CD B:LYS111 3.9 23.3 1.0
CE B:LYS111 3.9 20.2 1.0
CG B:MET175 4.1 20.2 1.0
O B:HOH2031 4.2 19.7 1.0
CD2 B:LEU224 4.3 24.3 1.0
CB B:LYS111 4.5 23.7 1.0
NZ B:LYS111 4.6 19.1 1.0
CA B:MET175 4.6 22.8 1.0
O B:HOH2076 4.7 21.4 1.0
CB B:MET175 4.7 23.1 1.0

Iodine binding site 6 out of 13 in 4as2

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Iodine binding site 6 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I1332

b:28.2
occ:0.40
 O B:HOH2093 3.4 21.6 1.0
CA B:ALA214 3.8 26.1 1.0
CB B:ALA214 4.1 25.3 1.0
N B:ALA214 4.2 22.6 1.0
CD1 B:TYR249 4.3 16.4 1.0
CG2 B:ILE213 4.3 15.4 1.0
O B:TYR249 4.4 18.8 1.0
CA B:TYR249 4.5 17.5 1.0
C B:ILE213 4.7 22.4 1.0
O B:THR248 4.7 17.5 1.0
O B:ILE213 4.8 21.9 1.0
NH1 B:ARG210 4.9 19.9 1.0
C B:TYR249 4.9 19.1 1.0
CB B:TYR249 5.0 17.3 1.0

Iodine binding site 7 out of 13 in 4as2

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Iodine binding site 7 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I1330

b:18.7
occ:0.90
 O D:HOH2148 3.5 13.0 1.0
O C:HOH2182 3.5 12.5 1.0
N D:ALA236 3.6 12.2 1.0
N C:ALA236 3.7 12.6 1.0
CA C:PRO235 3.8 12.3 1.0
CA D:PRO235 3.8 15.0 1.0
CB C:PRO235 3.9 12.9 1.0
CA C:GLY241 4.1 8.9 1.0
O D:ALA236 4.2 13.8 1.0
O C:ALA236 4.2 12.2 1.0
CA D:GLY241 4.2 9.1 1.0
C D:PRO235 4.2 14.6 1.0
CB D:PRO235 4.2 14.2 1.0
C C:PRO235 4.3 13.1 1.0
CA D:ALA236 4.5 12.4 1.0
CB D:ALA236 4.6 12.8 1.0
CB C:ALA244 4.7 10.8 1.0
CB D:ALA244 4.7 9.8 1.0
CB C:ALA236 4.7 11.7 1.0
CA C:ALA236 4.7 12.4 1.0
C D:ALA236 4.8 11.6 1.0
N C:GLY241 4.8 8.9 1.0
C C:ALA236 4.8 12.4 1.0
CB C:THR234 4.9 11.3 1.0
N D:GLY241 4.9 9.0 1.0
CB D:THR234 5.0 14.8 1.0
CG D:PRO235 5.0 16.5 1.0

Iodine binding site 8 out of 13 in 4as2

Go back to Iodine Binding Sites List in 4as2
Iodine binding site 8 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I1331

b:24.8
occ:0.70
 O C:HOH2212 3.2 31.2 1.0
O D:HOH2165 3.3 22.9 1.0
NE2 C:GLN243 3.6 19.0 1.0
NE2 D:GLN243 3.7 15.1 1.0
CG C:GLN243 4.0 14.9 1.0
CG D:GLN243 4.1 12.9 1.0
O C:HOH2186 4.2 33.3 1.0
CD C:GLN243 4.2 16.5 1.0
CD1 D:LEU247 4.3 11.0 1.0
CD D:GLN243 4.3 15.6 1.0
CD1 C:LEU247 4.4 15.2 1.0
CD2 C:LEU247 4.7 14.5 1.0
O C:HOH2083 4.9 37.5 1.0
O D:HOH2164 4.9 39.1 1.0
CG C:LEU247 5.0 13.6 1.0
CD2 D:LEU247 5.0 13.5 1.0

Iodine binding site 9 out of 13 in 4as2

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Iodine binding site 9 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I1332

b:19.1
occ:0.50
 O C:HOH2145 2.9 23.9 1.0
CE C:LYS111 3.7 11.2 1.0
CD C:LYS111 3.8 13.7 1.0
CG C:LYS111 3.9 13.3 1.0
CG C:MET175 4.1 12.3 1.0
O C:HOH2057 4.1 8.1 1.0
CA C:MET175 4.4 12.6 1.0
CD2 C:LEU224 4.4 16.3 1.0
O C:HOH2150 4.6 32.9 1.0
CB C:MET175 4.6 12.7 1.0
O C:HOH2142 4.6 9.3 1.0
CB C:LYS111 4.6 14.1 1.0
NZ C:LYS111 4.6 11.2 1.0

Iodine binding site 10 out of 13 in 4as2

Go back to Iodine Binding Sites List in 4as2
Iodine binding site 10 out of 13 in the Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Pseudomonas Aeruginosa Phosphorylcholine Phosphatase. Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:I1333

b:28.2
occ:0.40
 O C:HOH2012 1.8 27.9 1.0
O C:HOH2238 2.0 32.6 1.0
CA C:ALA10 3.7 19.2 1.0
N C:ALA10 3.7 17.9 1.0
CB C:ALA10 3.9 19.2 1.0
C C:PRO9 4.1 20.2 1.0
CA C:VAL319 4.1 17.6 1.0
CG1 C:VAL319 4.2 16.4 1.0
N C:ILE320 4.2 16.8 1.0
O C:PRO9 4.3 22.6 1.0
O C:TRP318 4.4 16.6 1.0
CB C:PRO9 4.4 20.2 1.0
CG2 C:VAL319 4.5 18.1 1.0
CB C:VAL319 4.5 18.2 1.0
OE1 C:GLN13 4.6 35.0 1.0
O C:ILE320 4.6 19.2 1.0
C C:VAL319 4.7 17.3 1.0
CA C:PRO9 5.0 19.7 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 Aug 11 17:23:22 2024

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