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Chlorine in PDB 4aho: Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165

Enzymatic activity of Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165

All present enzymatic activity of Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165:
4.1.3.3;

Protein crystallography data

The structure of Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165, PDB code: 4aho was solved by N.Timms, A.Polyakova, C.L.Windle, C.H.Trinh, A.Nelson, A.R.Trinh, A.Berry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.43 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.315, 109.719, 131.373, 90.00, 90.00, 90.00
R / Rfree (%) 19.572 / 23.534

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165 (pdb code 4aho). 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 N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165, PDB code: 4aho:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4aho

Go back to Chlorine Binding Sites List in 4aho
Chlorine binding site 1 out of 4 in the Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165


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 N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1294

b:34.8
occ:1.00
 OG A:SER49 2.9 29.3 1.0
N A:SER49 3.2 26.6 1.0
N A:SER48 3.5 25.4 1.0
CB A:SER49 3.5 28.7 1.0
NZ A:SLZ165 3.6 39.9 1.0
CB A:ALA11 3.6 26.5 1.0
CA A:GLY47 3.7 25.6 1.0
C A:GLY47 3.8 25.4 1.0
CD2 A:TYR44 3.9 25.9 1.0
CE2 A:TYR44 3.9 26.0 1.0
CA A:SER49 4.0 27.9 1.0
CB A:SER48 4.1 27.6 1.0
CA A:SER48 4.1 26.6 1.0
C A:SER48 4.2 26.4 1.0
O A:HOH2015 4.2 32.1 1.0
O A:HOH2001 4.3 27.5 1.0
O A:GLY47 4.6 25.4 1.0
CE A:SLZ165 4.6 39.5 1.0
N A:GLY47 4.7 25.9 1.0
CA A:ALA11 4.9 26.6 1.0
OG A:SER48 4.9 31.4 1.0
CG2 A:ILE206 4.9 27.4 1.0

Chlorine binding site 2 out of 4 in 4aho

Go back to Chlorine Binding Sites List in 4aho
Chlorine binding site 2 out of 4 in the Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165


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 N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1294

b:33.0
occ:1.00
 OG B:SER49 2.9 31.3 1.0
N B:SER49 3.3 28.9 1.0
NZ B:SLZ165 3.4 33.5 1.0
N B:SER48 3.6 28.0 1.0
CB B:SER49 3.6 30.1 1.0
CB B:ALA11 3.6 24.6 1.0
CA B:GLY47 3.8 27.4 1.0
O B:HOH2019 3.9 31.0 1.0
C B:GLY47 3.9 27.7 1.0
CE2 B:TYR44 3.9 24.5 1.0
CD2 B:TYR44 3.9 24.6 1.0
CA B:SER49 4.1 29.6 1.0
CA B:SER48 4.2 29.0 1.0
C B:SER48 4.3 28.8 1.0
O B:HOH2005 4.3 24.2 1.0
O B:HOH2051 4.3 40.8 1.0
CB B:SER48 4.4 28.6 1.0
O B:HOH2020 4.4 36.6 1.0
CE B:SLZ165 4.6 33.5 1.0
O B:GLY47 4.7 28.0 1.0
CA B:ALA11 4.8 25.2 1.0
N B:GLY47 4.8 28.0 1.0
CG2 B:ILE206 4.9 24.1 1.0
OH B:TYR137 5.0 32.5 1.0
OG B:SER48 5.0 31.6 1.0

Chlorine binding site 3 out of 4 in 4aho

Go back to Chlorine Binding Sites List in 4aho
Chlorine binding site 3 out of 4 in the Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165


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 N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1294

b:33.1
occ:1.00
 OG C:SER49 2.8 32.5 1.0
NZ C:SLZ165 3.3 36.9 1.0
N C:SER49 3.4 32.1 1.0
CB C:ALA11 3.6 31.0 1.0
N C:SER48 3.6 30.4 1.0
CB C:SER49 3.8 33.4 1.0
CD2 C:TYR44 3.9 30.9 1.0
CE2 C:TYR44 3.9 30.3 1.0
O C:HOH2013 4.0 30.6 1.0
C C:GLY47 4.0 30.6 1.0
CA C:GLY47 4.1 30.5 1.0
CA C:SER49 4.2 32.8 1.0
CA C:SER48 4.2 31.4 1.0
O C:HOH2046 4.3 39.9 1.0
C C:SER48 4.3 31.8 1.0
CB C:SER48 4.3 31.3 1.0
O C:HOH2001 4.4 30.4 1.0
CE C:SLZ165 4.4 36.8 1.0
CA C:ALA11 4.7 31.8 1.0
CG2 C:ILE206 4.8 29.5 1.0
O C:GLY47 4.8 31.4 1.0
OH C:TYR137 4.9 30.8 1.0

Chlorine binding site 4 out of 4 in 4aho

Go back to Chlorine Binding Sites List in 4aho
Chlorine binding site 4 out of 4 in the Crystal Structure of N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165


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 N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus with the Chemical Modification Thia-Lysine at Position 165 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1294

b:31.8
occ:1.00
 OG D:SER49 2.9 23.7 1.0
N D:SER49 3.3 22.3 1.0
N D:SER48 3.4 22.3 1.0
NZ D:SLZ165 3.5 33.0 1.0
CB D:ALA11 3.6 20.7 1.0
CB D:SER49 3.7 22.5 1.0
C D:GLY47 3.8 22.1 1.0
CA D:GLY47 3.8 21.9 1.0
CE2 D:TYR44 4.0 22.9 1.0
CD2 D:TYR44 4.0 22.8 1.0
O D:HOH2019 4.1 33.0 1.0
CA D:SER49 4.1 22.5 1.0
CA D:SER48 4.1 23.4 1.0
C D:SER48 4.2 22.8 1.0
O D:HOH2064 4.3 39.4 1.0
CB D:SER48 4.3 25.1 1.0
O D:HOH2002 4.4 29.4 1.0
CE D:SLZ165 4.4 33.3 1.0
O D:HOH2020 4.4 30.2 1.0
O D:GLY47 4.7 21.6 1.0
CA D:ALA11 4.8 20.6 1.0
N D:GLY47 4.9 22.0 1.0
OG D:SER48 4.9 29.9 1.0
OH D:TYR137 4.9 24.6 1.0
CG2 D:ILE206 4.9 22.2 1.0

Reference:

N.Timms, C.L.Windle, A.Polyakova, J.R.Ault, C.H.Trinh, A.R.Pearson, A.Nelson, A.Berry. Structural Insights Into the Recovery of Aldolase Activity in N-Acetylneuraminic Acid Lyase By Replacement of the Catalytically Active Lysine with Gamma-Thialysine By Using A Chemical Mutagenesis Strategy. Chembiochem V. 14 474 2013.
ISSN: ISSN 1439-4227
PubMed: 23418011
DOI: 10.1002/CBIC.201200714
Page generated: Sat Dec 12 10:23:28 2020

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