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Chlorine in PDB 2wnq: Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21

Enzymatic activity of Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21

All present enzymatic activity of Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21:
4.1.3.3;

Protein crystallography data

The structure of Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21, PDB code: 2wnq was solved by I.Campeotto, A.H.Bolt, T.A.Harman, C.H.Trinh, C.A.Dennis, S.E.V.Phillips, A.R.Pearson, A.Nelson, A.Berry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.95 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.630, 142.770, 84.487, 90.00, 108.99, 90.00
R / Rfree (%) 19.66 / 25.312

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21 (pdb code 2wnq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21, PDB code: 2wnq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2wnq

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Chlorine binding site 1 out of 4 in the Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1298

b:34.5
occ:1.00
 NZ A:LYS165 3.0 31.9 1.0
OG1 A:THR48 3.3 26.8 1.0
N A:SER47 3.4 24.6 1.0
N A:THR48 3.4 25.3 1.0
OH A:TYR137 3.6 30.6 1.0
CB A:THR48 3.7 25.0 1.0
CA A:GLY46 3.8 23.7 1.0
CE2 A:TYR43 3.8 22.6 1.0
C A:GLY46 3.9 24.3 1.0
CB A:SER47 4.0 25.1 1.0
CB A:ALA11 4.0 24.8 1.0
CA A:SER47 4.1 24.9 1.0
CD2 A:TYR43 4.1 21.4 1.0
CZ A:TYR137 4.1 31.9 1.0
CE2 A:TYR137 4.2 31.8 1.0
CA A:THR48 4.2 25.5 1.0
C A:SER47 4.3 24.5 1.0
O A:HOH2007 4.4 20.0 1.0
CE A:LYS165 4.4 31.1 1.0
O A:GLY46 4.8 25.7 1.0
OG A:SER47 4.8 26.3 1.0
N A:GLY46 4.9 22.4 1.0
CZ A:TYR43 4.9 21.7 1.0

Chlorine binding site 2 out of 4 in 2wnq

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Chlorine binding site 2 out of 4 in the Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1297

b:21.1
occ:1.00
 NZ B:LYS165 3.2 29.8 1.0
OG1 B:THR48 3.3 18.5 1.0
N B:THR48 3.3 19.2 1.0
N B:SER47 3.4 20.3 1.0
CA B:GLY46 3.6 20.7 1.0
CE2 B:TYR43 3.6 17.6 1.0
CB B:THR48 3.8 18.6 1.0
C B:GLY46 3.8 20.4 1.0
OG B:SER47 3.8 24.3 1.0
CD2 B:TYR43 3.9 19.4 1.0
CB B:SER47 4.0 21.0 1.0
CA B:SER47 4.1 20.6 1.0
CA B:THR48 4.2 18.7 1.0
C B:SER47 4.2 19.4 1.0
CB B:ALA11 4.3 20.8 1.0
OH B:TYR137 4.4 23.0 1.0
O B:HOH2001 4.4 19.9 1.0
CE B:LYS165 4.6 27.3 1.0
N B:GLY46 4.7 21.0 1.0
O B:GLY46 4.8 20.6 1.0
CZ B:TYR43 4.9 20.1 1.0

Chlorine binding site 3 out of 4 in 2wnq

Go back to Chlorine Binding Sites List in 2wnq
Chlorine binding site 3 out of 4 in the Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1297

b:23.0
occ:1.00
 OG1 C:THR48 3.2 21.5 1.0
N C:THR48 3.3 20.0 1.0
NZ C:LYS165 3.3 26.5 1.0
N C:SER47 3.5 20.9 1.0
CB C:THR48 3.7 19.5 1.0
CE2 C:TYR43 3.7 15.4 1.0
CA C:GLY46 3.9 20.8 1.0
CD2 C:TYR43 3.9 17.4 1.0
CB C:ALA11 3.9 21.9 1.0
C C:GLY46 3.9 21.1 1.0
CB C:SER47 4.1 22.1 1.0
CA C:THR48 4.1 19.5 1.0
CA C:SER47 4.1 21.2 1.0
C C:SER47 4.2 20.2 1.0
O C:HOH2013 4.4 16.2 1.0
OG C:SER47 4.5 24.4 1.0
OH C:TYR137 4.5 23.1 1.0
CE C:LYS165 4.8 24.1 1.0
CZ C:TYR43 4.9 16.1 1.0
N C:GLY46 4.9 20.4 1.0
O C:GLY46 4.9 21.5 1.0

Chlorine binding site 4 out of 4 in 2wnq

Go back to Chlorine Binding Sites List in 2wnq
Chlorine binding site 4 out of 4 in the Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the E192N Mutant of E. Coli N-Acetylneuraminic Acid Lyase in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1296

b:26.5
occ:1.00
 NZ D:LYS165 3.1 31.2 1.0
OG1 D:THR48 3.1 21.4 1.0
N D:THR48 3.2 19.0 1.0
N D:SER47 3.4 19.2 1.0
CB D:THR48 3.6 19.5 1.0
CB D:SER47 3.8 19.6 1.0
CA D:GLY46 3.8 18.1 1.0
C D:GLY46 3.9 18.1 1.0
CE2 D:TYR43 4.0 19.9 1.0
CB D:ALA11 4.0 19.5 1.0
CA D:SER47 4.0 19.4 1.0
CA D:THR48 4.0 19.7 1.0
C D:SER47 4.1 19.3 1.0
CD2 D:TYR43 4.2 20.6 1.0
OG D:SER47 4.4 24.1 1.0
CE D:LYS165 4.4 31.1 1.0
OH D:TYR137 4.5 29.8 1.0
O D:HOH2054 4.8 25.9 1.0
N D:GLY46 4.8 17.9 1.0
O D:GLY46 4.9 16.2 1.0
CG2 D:THR48 5.0 19.9 1.0

Reference:

I.Campeotto, A.H.Bolt, T.A.Harman, C.A.Dennis, C.H.Trinh, S.E.V.Phillips, A.Nelson, A.R.Pearson, A.Berry. Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced By Directed Evolution. J.Mol.Biol. V. 404 56 2010.
ISSN: ISSN 0022-2836
PubMed: 20826162
DOI: 10.1016/J.JMB.2010.08.008
Page generated: Fri Jul 11 01:30:43 2025

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