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Sodium 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:

Chlorine (Cl) 6 atoms

Sodium Binding Sites:

The binding sites of Sodium 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 Sodium atom.
In total 6 binding sites of Sodium 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 Sodium binding site number: 1; 2; 3; 4; 5; 6;

Sodium binding site 1 out of 6 in 3t4u

Go back to Sodium Binding Sites List in 3t4u
Sodium 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 Sodium with other atoms in the Na 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:Na279

b:16.1
occ:1.00
 OG A:SER94 3.1 17.8 1.0
N A:TRP28 3.2 18.0 0.5
NE2 A:HIS251 3.2 19.5 1.0
N A:TRP28 3.2 16.3 0.5
O A:HOH1119 3.3 6.4 0.5
CB A:SER94 3.4 17.7 1.0
CE2 A:PHE162 3.6 17.0 1.0
CD2 A:HIS251 3.8 17.0 1.0
CB A:TRP28 3.8 15.8 0.5
CE2 A:PHE93 3.8 13.3 1.0
O A:TRP28 3.9 19.8 0.5
CB A:TRP28 3.9 18.7 0.5
CD1 A:LEU30 4.0 16.1 1.0
CA A:GLY27 4.0 16.6 1.0
CA A:TRP28 4.0 18.8 0.5
C A:GLY27 4.1 17.7 1.0
CA A:TRP28 4.1 15.7 0.5
CE1 A:HIS251 4.4 22.3 1.0
C A:TRP28 4.4 19.0 0.5
CD2 A:PHE162 4.5 17.0 1.0
CD2 A:PHE93 4.5 15.8 1.0
CZ A:PHE162 4.5 14.9 1.0
CZ A:PHE93 4.6 17.3 1.0
CA A:SER94 4.9 17.5 1.0
N A:ILE29 5.0 15.1 0.5

Sodium binding site 2 out of 6 in 3t4u

Go back to Sodium Binding Sites List in 3t4u
Sodium 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 Sodium with other atoms in the Na 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
B:Na276

b:16.6
occ:1.00
 OG B:SER94 3.0 17.3 1.0
O B:HOH1124 3.1 5.8 0.5
NE2 B:HIS251 3.1 17.2 1.0
N B:TRP28 3.2 16.5 0.5
N B:TRP28 3.3 14.5 0.5
CB B:SER94 3.4 13.8 1.0
CE1 B:PHE162 3.7 16.9 1.0
CD2 B:HIS251 3.8 13.5 1.0
CB B:TRP28 3.9 13.4 0.5
CE2 B:PHE93 3.9 10.3 1.0
O B:TRP28 3.9 20.0 0.5
CB B:TRP28 4.0 16.9 0.5
CA B:GLY27 4.1 15.1 1.0
CD1 B:LEU30 4.1 15.1 1.0
CA B:TRP28 4.1 17.6 0.5
C B:GLY27 4.1 16.2 1.0
CA B:TRP28 4.1 13.9 0.5
CE1 B:HIS251 4.2 18.9 1.0
C B:TRP28 4.5 18.5 0.5
CD1 B:PHE162 4.5 17.6 1.0
CZ B:PHE93 4.5 11.9 1.0
CD2 B:PHE93 4.6 11.5 1.0
CZ B:PHE162 4.7 17.6 1.0
CA B:SER94 5.0 14.3 1.0
N B:ILE29 5.0 14.8 0.5

Sodium binding site 3 out of 6 in 3t4u

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Sodium 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 Sodium with other atoms in the Na 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
C:Na280

b:19.4
occ:1.00
 OG C:SER94 3.0 16.3 1.0
O C:HOH1118 3.1 8.2 0.5
NE2 C:HIS251 3.1 17.7 1.0
N C:TRP28 3.2 17.6 0.5
N C:TRP28 3.3 16.0 0.5
CB C:SER94 3.5 15.1 1.0
CE2 C:PHE162 3.7 17.5 1.0
CD2 C:HIS251 3.7 14.7 1.0
O C:TRP28 3.8 20.1 0.5
CB C:TRP28 3.8 14.9 0.5
CE2 C:PHE93 3.9 15.5 1.0
CB C:TRP28 3.9 17.8 0.5
CA C:TRP28 4.0 18.6 0.5
CA C:GLY27 4.1 15.7 1.0
CD1 C:LEU30 4.1 15.4 1.0
C C:GLY27 4.1 17.0 1.0
CA C:TRP28 4.1 15.7 0.5
CE1 C:HIS251 4.3 16.2 1.0
C C:TRP28 4.4 19.1 0.5
CD2 C:PHE162 4.4 18.5 1.0
CD2 C:PHE93 4.6 15.1 1.0
CZ C:PHE93 4.6 15.4 1.0
CZ C:PHE162 4.6 18.0 1.0
N C:ILE29 5.0 15.9 0.5
CG C:LEU30 5.0 19.3 1.0

Sodium binding site 4 out of 6 in 3t4u

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Sodium 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 Sodium with other atoms in the Na 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
D:Na278

b:18.5
occ:1.00
 OG D:SER94 3.1 17.3 1.0
O D:HOH1131 3.1 9.1 0.5
NE2 D:HIS251 3.2 19.0 1.0
N D:TRP28 3.2 16.5 0.5
N D:TRP28 3.2 15.2 0.5
CB D:SER94 3.5 15.5 1.0
CE2 D:PHE162 3.7 20.1 1.0
CB D:TRP28 3.8 13.8 0.5
CD2 D:HIS251 3.8 16.5 1.0
CB D:TRP28 3.8 16.3 0.5
CE2 D:PHE93 3.9 12.9 1.0
CA D:TRP28 4.0 16.9 0.5
O D:TRP28 4.0 17.1 0.5
CA D:TRP28 4.1 14.5 0.5
CA D:GLY27 4.1 15.7 1.0
C D:GLY27 4.1 16.7 1.0
CD1 D:LEU30 4.2 14.9 1.0
CE1 D:HIS251 4.4 18.8 1.0
CD2 D:PHE162 4.4 17.6 1.0
C D:TRP28 4.5 17.3 0.5
CZ D:PHE93 4.6 14.0 1.0
CD2 D:PHE93 4.6 12.3 1.0
CZ D:PHE162 4.7 19.1 1.0
N D:ILE29 4.9 14.5 0.5
CG D:LEU30 5.0 17.5 1.0
C D:TRP28 5.0 14.5 0.5
CA D:SER94 5.0 15.2 1.0

Sodium binding site 5 out of 6 in 3t4u

Go back to Sodium Binding Sites List in 3t4u
Sodium 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 Sodium with other atoms in the Na 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
E:Na279

b:19.6
occ:1.00
 OG E:SER94 3.0 20.6 1.0
O E:HOH1130 3.0 11.1 0.5
NE2 E:HIS251 3.2 17.0 1.0
N E:TRP28 3.3 18.6 0.5
N E:TRP28 3.3 17.6 0.5
CB E:SER94 3.5 17.3 1.0
CE2 E:PHE162 3.7 20.6 1.0
CD2 E:HIS251 3.7 16.9 1.0
CB E:TRP28 3.8 16.6 0.5
CB E:TRP28 3.8 18.6 0.5
O E:TRP28 3.9 20.2 0.5
CE2 E:PHE93 3.9 16.0 1.0
CA E:TRP28 4.0 19.3 0.5
CA E:TRP28 4.1 17.2 0.5
CA E:GLY27 4.1 16.4 1.0
C E:GLY27 4.1 18.4 1.0
CD1 E:LEU30 4.2 19.1 1.0
CE1 E:HIS251 4.3 18.9 1.0
C E:TRP28 4.4 19.6 0.5
CD2 E:PHE162 4.4 20.7 1.0
CZ E:PHE93 4.6 13.9 1.0
CZ E:PHE162 4.6 21.7 1.0
CD2 E:PHE93 4.6 13.0 1.0
CA E:SER94 5.0 17.5 1.0

Sodium binding site 6 out of 6 in 3t4u

Go back to Sodium Binding Sites List in 3t4u
Sodium 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 Sodium with other atoms in the Na 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
F:Na278

b:14.6
occ:1.00
 OG F:SER94 3.0 19.1 1.0
O F:HOH1121 3.1 4.5 0.5
NE2 F:HIS251 3.1 19.4 1.0
N F:TRP28 3.3 13.7 0.5
N F:TRP28 3.3 16.2 0.5
CB F:SER94 3.4 15.2 1.0
CE2 F:PHE162 3.6 17.4 1.0
CD2 F:HIS251 3.8 16.3 1.0
CB F:TRP28 3.8 11.9 0.5
CE2 F:PHE93 3.8 14.9 1.0
CB F:TRP28 3.9 16.8 0.5
CD1 F:LEU30 4.1 15.9 1.0
CA F:GLY27 4.1 14.5 1.0
CA F:TRP28 4.1 17.3 0.5
CA F:TRP28 4.1 12.7 0.5
O F:TRP28 4.1 19.0 0.5
C F:GLY27 4.2 16.0 1.0
CE1 F:HIS251 4.3 19.3 1.0
CD2 F:PHE162 4.4 15.7 1.0
CD2 F:PHE93 4.5 15.1 1.0
C F:TRP28 4.6 17.6 0.5
CZ F:PHE93 4.6 15.2 1.0
CZ F:PHE162 4.6 16.4 1.0
CA F:SER94 5.0 15.8 1.0
CG F:LEU30 5.0 17.8 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: Mon Oct 7 13:08:59 2024

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