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Chlorine in PDB 5ng7: Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments

Enzymatic activity of Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments

All present enzymatic activity of Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments:
3.3.2.10;

Protein crystallography data

The structure of Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments, PDB code: 5ng7 was solved by E.E.Ferrandi, S.A.De Rose, C.Sayer, E.Guazzelli, C.Marchesi, V.Saneei, M.N.Isupov, J.A.Littlechild, D.Monti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.51 / 1.39
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.940, 46.220, 73.870, 90.00, 106.94, 90.00
R / Rfree (%) 17.3 / 20.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments (pdb code 5ng7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments, PDB code: 5ng7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5ng7

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Chlorine binding site 1 out of 3 in the Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:22.8
occ:1.00
 O A:HOH436 3.0 31.2 1.0
N A:GLU267 3.2 17.0 1.0
O A:HOH731 3.3 45.6 1.0
C A:PHE265 3.6 15.4 1.0
N A:PRO266 3.6 17.7 1.0
CA A:PHE265 3.7 15.6 1.0
CD A:PRO266 3.7 19.1 1.0
CB A:PHE265 3.7 15.2 1.0
CB A:GLU267 3.7 20.6 1.0
CA A:GLU267 3.8 20.4 1.0
CD2 A:PHE265 3.9 22.8 1.0
SG A:CYS268 3.9 18.9 1.0
C A:GLU267 4.0 22.4 1.0
N A:CYS268 4.0 17.0 1.0
O A:PHE265 4.1 15.4 1.0
CG A:PHE265 4.2 15.9 1.0
C A:PRO266 4.3 18.3 1.0
CA A:PRO266 4.4 18.4 1.0
CG A:GLU267 4.6 25.6 1.0
O A:GLU267 4.7 22.9 1.0
CG A:GLU276 4.7 17.4 1.0
CB A:CYS268 4.7 14.3 1.0
CG A:PRO266 4.8 25.0 1.0
CB A:PRO266 4.9 21.8 1.0
OE2 A:GLU276 4.9 26.6 1.0
CA A:CYS268 4.9 14.9 1.0
CE2 A:PHE265 5.0 24.9 1.0

Chlorine binding site 2 out of 3 in 5ng7

Go back to Chlorine Binding Sites List in 5ng7
Chlorine binding site 2 out of 3 in the Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:31.6
occ:1.00
 O B:HOH635 3.1 40.6 1.0
NE B:ARG135 3.1 18.6 1.0
NH2 B:ARG135 3.6 20.8 1.0
CZ B:PHE255 3.6 27.5 1.0
CB B:THR134 3.7 22.6 1.0
CG2 B:THR134 3.8 27.6 1.0
CZ B:ARG135 3.8 16.5 1.0
CG B:ARG135 3.9 18.9 1.0
OG1 B:THR134 4.0 31.1 1.0
CA B:ALA131 4.0 18.9 1.0
CD B:ARG135 4.1 17.7 1.0
O B:LYS130 4.2 24.6 1.0
CE1 B:PHE255 4.5 26.5 1.0
CE2 B:PHE255 4.5 34.0 1.0
N B:ALA131 4.6 19.3 1.0
C B:LYS130 4.6 22.0 1.0
O B:HOH449 4.7 35.9 1.0
CB B:ALA131 4.7 28.8 1.0
O B:ALA131 4.7 22.5 1.0
C B:ALA131 4.9 22.2 1.0

Chlorine binding site 3 out of 3 in 5ng7

Go back to Chlorine Binding Sites List in 5ng7
Chlorine binding site 3 out of 3 in the Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Novel Epoxide Hydrolases Belonging to the Alpha/Beta Hydrolases Superfamily in Metagenomes From Hot Environments within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:28.1
occ:0.60
 N B:GLU267 3.1 27.5 1.0
C B:PHE265 3.3 38.5 1.0
N B:PRO266 3.4 38.2 1.0
CA B:PHE265 3.4 26.6 1.0
CB B:PHE265 3.5 26.9 1.0
CD B:PRO266 3.6 36.9 1.0
CA B:GLU267 3.7 35.3 1.0
CB B:GLU267 3.8 40.8 1.0
O B:HOH439 3.8 36.4 1.0
N B:CYS268 3.8 30.8 1.0
C B:GLU267 3.9 42.1 1.0
O B:PHE265 3.9 31.4 1.0
SG B:CYS268 3.9 36.6 1.0
CD2 B:PHE265 3.9 33.9 1.0
C B:PRO266 4.1 28.2 1.0
CG B:PHE265 4.2 29.1 1.0
CA B:PRO266 4.2 35.6 1.0
CB B:CYS268 4.6 29.1 1.0
O B:GLU267 4.6 32.1 1.0
CG B:GLU267 4.7 54.0 1.0
CG B:PRO266 4.8 46.2 1.0
CA B:CYS268 4.8 31.0 1.0
CB B:PRO266 4.8 44.3 1.0
N B:PHE265 4.9 28.3 1.0

Reference:

E.E.Ferrandi, C.Sayer, S.A.De Rose, E.Guazzelli, C.Marchesi, V.Saneei, M.N.Isupov, J.A.Littlechild, D.Monti. New Thermophilic Alpha / Beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments. Front Bioeng Biotechnol V. 6 144 2018.
ISSN: ISSN 2296-4185
PubMed: 30386778
DOI: 10.3389/FBIOE.2018.00144
Page generated: Fri Jul 26 13:32:59 2024

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