Chlorine in PDB 4ahp: Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus

All present enzymatic activity of Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus:
4.1.3.3;

The structure of Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus, PDB code: 4ahp 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)	46.52 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.530, 109.560, 131.340, 90.00, 90.00, 90.00
R / Rfree (%)	19.604 / 24.765

The binding sites of Chlorine atom in the Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus (pdb code 4ahp). 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 Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus, PDB code: 4ahp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus


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 Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1294 b:28.3 occ:1.00 OG A:SER49 3.2 22.3 1.0 N A:SER49 3.4 21.4 1.0 N A:SER48 3.5 19.4 1.0 CB A:ALA11 3.7 21.6 1.0 NZ A:LYS165 3.7 27.7 1.0 CB A:SER49 3.7 21.7 1.0 CA A:GLY47 3.7 18.7 1.0 C A:GLY47 3.8 18.6 1.0 CE2 A:TYR44 3.9 22.2 1.0 CD2 A:TYR44 3.9 20.6 1.0 CA A:SER49 4.2 21.1 1.0 CA A:SER48 4.2 20.6 1.0 O A:HOH2015 4.2 30.3 1.0 CB A:SER48 4.3 21.9 1.0 C A:SER48 4.3 21.1 1.0 O A:HOH2001 4.3 21.2 1.0 CE A:LYS165 4.4 28.1 1.0 N A:GLY47 4.7 18.6 1.0 O A:GLY47 4.7 17.1 1.0 CA A:ALA11 4.8 20.9 1.0 CG2 A:ILE206 4.8 21.0 1.0 OH A:TYR137 4.9 27.6 1.0 OG A:SER48 4.9 25.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus


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 Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1294 b:26.4 occ:1.00 OG B:SER49 3.2 22.6 1.0 N B:SER49 3.4 22.3 1.0 NZ B:LYS165 3.4 28.9 1.0 CB B:SER49 3.6 21.9 1.0 N B:SER48 3.6 22.4 1.0 CB B:ALA11 3.7 19.3 1.0 CA B:GLY47 3.9 21.1 1.0 O B:HOH2020 3.9 22.4 1.0 C B:GLY47 3.9 21.8 1.0 CD2 B:TYR44 4.0 21.3 1.0 CE2 B:TYR44 4.0 20.8 1.0 O B:HOH2065 4.1 45.5 1.0 CA B:SER49 4.1 22.5 1.0 O B:HOH2005 4.3 17.3 1.0 CA B:SER48 4.3 23.8 1.0 C B:SER48 4.4 23.6 1.0 CB B:SER48 4.5 25.1 1.0 O B:HOH2021 4.5 23.9 1.0 CE B:LYS165 4.6 27.4 1.0 O B:GLY47 4.7 23.0 1.0 N B:GLY47 4.8 20.1 1.0 CA B:ALA11 4.8 20.1 1.0 OH B:TYR137 4.8 26.8 1.0 OG B:SER48 4.8 29.9 1.0 CG2 B:ILE206 4.9 17.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus


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 Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1294 b:32.7 occ:1.00 OG C:SER49 3.1 22.7 1.0 NZ C:LYS165 3.3 23.9 1.0 N C:SER49 3.5 24.7 1.0 CB C:ALA11 3.5 18.1 1.0 N C:SER48 3.6 22.1 1.0 CB C:SER49 3.7 24.2 1.0 CA C:GLY47 3.9 19.7 1.0 CE2 C:TYR44 3.9 22.2 1.0 CD2 C:TYR44 3.9 23.6 1.0 C C:GLY47 4.0 21.2 1.0 O C:HOH2015 4.1 28.2 1.0 O C:HOH2049 4.1 31.5 1.0 CA C:SER49 4.2 24.6 1.0 O C:HOH2002 4.3 18.7 1.0 CA C:SER48 4.4 24.2 1.0 CB C:SER48 4.4 24.7 1.0 C C:SER48 4.4 25.9 1.0 CE C:LYS165 4.5 23.6 1.0 CA C:ALA11 4.7 19.3 1.0 CG2 C:ILE206 4.8 18.0 1.0 O C:GLY47 4.9 22.0 1.0 N C:GLY47 4.9 20.0 1.0 OH C:TYR137 4.9 25.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus


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 Wild Type N-Acetylneuraminic Acid Lyase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1294 b:25.6 occ:1.00 OG D:SER49 3.2 17.4 1.0 N D:SER49 3.4 17.1 1.0 NZ D:LYS165 3.4 25.5 1.0 N D:SER48 3.5 17.0 1.0 CB D:ALA11 3.5 14.2 1.0 CB D:SER49 3.6 17.3 1.0 CA D:GLY47 3.8 18.1 1.0 C D:GLY47 3.9 17.9 1.0 CE2 D:TYR44 3.9 18.2 1.0 CD2 D:TYR44 3.9 18.5 1.0 O D:HOH2021 4.0 29.3 1.0 CA D:SER49 4.1 17.5 1.0 CA D:SER48 4.3 18.3 1.0 O D:HOH2064 4.3 38.2 1.0 O D:HOH2022 4.3 26.4 1.0 C D:SER48 4.4 18.1 1.0 CB D:SER48 4.4 19.8 1.0 CE D:LYS165 4.5 22.7 1.0 O D:HOH2003 4.5 15.9 1.0 CA D:ALA11 4.7 15.2 1.0 O D:GLY47 4.8 17.4 1.0 CG2 D:ILE206 4.8 17.9 1.0 OH D:TYR137 4.8 22.4 1.0 N D:GLY47 4.9 18.1 1.0

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