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Chlorine in PDB 3t4u: L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity

Enzymatic activity of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity

All present enzymatic activity of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity:
3.1.1.2;

Protein crystallography data

The structure of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity, PDB code: 3t4u was solved by R.J.Kazlauskas, T.Yin, V.M.Purpero, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.23 / 2.02
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 145.883, 145.883, 128.587, 90.00, 90.00, 120.00
R / Rfree (%) 19.2 / 22.1

Other elements in 3t4u:

The structure of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity also contains other interesting chemical elements:

Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity (pdb code 3t4u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity, PDB code: 3t4u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3t4u

Go back to Chlorine Binding Sites List in 3t4u
Chlorine binding site 1 out of 6 in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl274

b:43.6
occ:1.00
 N A:LYS247 3.5 25.7 1.0
NE2 A:GLN260 3.6 35.4 1.0
O A:HOH809 3.7 37.1 1.0
CA A:TYR246 4.0 24.5 1.0
O A:VAL245 4.1 24.3 1.0
CB A:LYS247 4.2 27.8 1.0
C A:TYR246 4.3 25.1 1.0
OE1 A:GLN260 4.4 33.2 1.0
CA A:LYS247 4.4 26.5 1.0
CD A:GLN260 4.5 31.9 1.0
CB A:TYR246 4.7 23.9 1.0
CD1 A:TYR246 4.8 25.0 1.0
C A:VAL245 5.0 25.4 1.0
N A:TYR246 5.0 24.1 1.0

Chlorine binding site 2 out of 6 in 3t4u

Go back to Chlorine Binding Sites List in 3t4u
Chlorine binding site 2 out of 6 in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl277

b:68.2
occ:1.00
 O A:HOH1171 3.4 30.0 1.0
NH1 A:ARG142 3.9 26.8 1.0
CD A:ARG142 3.9 24.9 1.0
OD1 A:ASP138 4.1 32.1 0.5
O A:ASP138 4.2 25.0 1.0
CG A:ASP138 4.5 28.7 0.5
CA A:VAL139 4.5 22.2 1.0
C A:ASP138 4.6 25.0 1.0
CB A:ARG142 4.6 19.4 1.0
OD1 A:ASP138 4.6 25.0 0.5
N A:VAL139 4.7 23.4 1.0
O A:HOH995 4.7 27.1 1.0
CG2 A:VAL139 4.8 23.1 1.0
CB A:ASP138 4.8 26.8 0.5
CZ A:ARG142 4.8 29.4 1.0
NE A:ARG142 4.8 27.7 1.0
CG A:ASP138 4.9 26.2 0.5
CG A:ARG142 4.9 20.9 1.0
O A:HOH1101 4.9 27.8 1.0
OD2 A:ASP138 5.0 31.8 0.5

Chlorine binding site 3 out of 6 in 3t4u

Go back to Chlorine Binding Sites List in 3t4u
Chlorine binding site 3 out of 6 in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl275

b:38.7
occ:1.00
 N B:LYS247 3.2 19.9 1.0
NZ B:LYS247 3.6 28.3 0.5
NE2 B:GLN260 3.6 27.4 1.0
CE B:LYS247 3.7 26.4 0.5
CA B:TYR246 3.8 18.6 1.0
CG B:LYS247 3.8 21.5 0.5
CD B:LYS247 3.8 25.1 0.5
CB B:LYS247 3.9 20.6 0.5
CB B:LYS247 3.9 20.0 0.5
C B:TYR246 3.9 19.2 1.0
O B:VAL245 4.0 19.8 1.0
CA B:LYS247 4.1 20.6 0.5
CA B:LYS247 4.1 20.2 0.5
O B:HOH1195 4.5 35.7 1.0
CB B:TYR246 4.6 18.8 1.0
CD B:GLN260 4.6 25.0 1.0
OE1 B:GLN260 4.6 26.9 1.0
O B:HOH841 4.7 33.9 1.0
CD1 B:TYR246 4.8 19.0 1.0
N B:TYR246 4.8 18.7 1.0
C B:VAL245 4.8 19.8 1.0
O B:LYS247 4.8 21.0 1.0
CG B:TYR246 4.9 18.2 1.0

Chlorine binding site 4 out of 6 in 3t4u

Go back to Chlorine Binding Sites List in 3t4u
Chlorine binding site 4 out of 6 in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl276

b:64.7
occ:1.00
 NH2 C:ARG45 3.2 26.1 1.0
NE C:ARG45 3.8 23.7 1.0
O C:HOH654 3.9 46.5 1.0
CZ C:ARG45 4.0 25.3 1.0
OH C:TYR41 4.7 27.3 1.0

Chlorine binding site 5 out of 6 in 3t4u

Go back to Chlorine Binding Sites List in 3t4u
Chlorine binding site 5 out of 6 in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl277

b:61.2
occ:1.00
 N D:GLY240 3.3 23.9 1.0
O D:HOH492 3.7 30.9 1.0
O D:HOH641 3.7 30.7 1.0
CG D:LYS239 3.9 28.5 1.0
CA D:LYS239 4.0 25.0 1.0
C D:LYS239 4.1 24.4 1.0
CA D:GLY240 4.2 24.5 1.0
CB D:LYS239 4.5 26.0 1.0
O D:ILE238 4.8 22.8 1.0
CD D:LYS239 5.0 35.9 1.0

Chlorine binding site 6 out of 6 in 3t4u

Go back to Chlorine Binding Sites List in 3t4u
Chlorine binding site 6 out of 6 in the L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl275

b:52.5
occ:1.00
 NE2 E:GLN260 3.3 24.6 0.5
N E:LYS247 3.5 29.0 1.0
CA E:TYR246 4.0 27.9 1.0
C E:TYR246 4.2 28.5 1.0
O E:VAL245 4.2 28.0 1.0
CB E:LYS247 4.3 31.6 1.0
CD E:GLN260 4.3 21.2 0.5
OE1 E:GLN260 4.5 18.7 0.5
CA E:LYS247 4.5 30.9 1.0
CB E:TYR246 4.7 27.8 1.0
CD1 E:TYR246 4.7 28.5 1.0
CG E:TYR246 4.9 27.3 1.0
N E:TYR246 5.0 28.3 1.0

Reference:

T.Yin, R.J.Kazlauskas, V.M.Purpero. L29I Mutation in An Aryl Esterase From Pseudomonas Fluorescens Leads to Unique Peptide Flip and Increased Activity To Be Published.
Page generated: Fri Jul 11 10:36:00 2025

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