Chlorine in PDB 5jd4: Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain

The structure of Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain, PDB code: 5jd4 was solved by P.J.Stogios, X.Xu, M.Alcaide, V.Yim, H.Cui, M.Martinez-Martinez, M.Ferrer, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.95 / 2.05
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	90.275, 90.098, 110.760, 68.02, 79.60, 67.57
R / Rfree (%)	16.9 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain (pdb code 5jd4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain, PDB code: 5jd4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


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 LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:79.2 occ:1.00 ND1 A:HIS29 2.9 45.5 1.0 O A:HOH559 3.2 50.9 1.0 N A:HIS29 3.5 40.7 1.0 O A:HOH820 3.5 69.9 1.0 CE1 A:HIS29 3.8 46.0 1.0 CG A:HIS29 3.9 42.8 1.0 O A:HOH740 4.0 54.5 1.0 CB A:HIS29 4.1 40.5 1.0 CA A:PRO28 4.1 45.8 1.0 C A:PRO28 4.3 42.1 1.0 CB A:PRO28 4.4 47.4 1.0 CA A:HIS29 4.4 40.9 1.0 O A:HOH704 4.5 59.3 1.0 NE2 A:HIS29 4.9 44.6 1.0 CG A:PRO123 4.9 33.1 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


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 LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:80.5 occ:1.00 ND1 B:HIS29 3.0 52.8 1.0 O3 B:GOL403 3.1 80.9 1.0 N B:HIS29 3.5 46.8 1.0 O B:HOH675 3.6 52.1 1.0 O B:HOH758 3.8 66.4 1.0 CG B:HIS29 3.8 48.9 1.0 CB B:HIS29 3.9 46.2 1.0 C3 B:GOL403 3.9 81.2 1.0 CE1 B:HIS29 4.0 53.1 1.0 O B:HOH750 4.3 51.6 1.0 CA B:PRO28 4.3 49.2 1.0 CA B:HIS29 4.3 45.6 1.0 C B:PRO28 4.4 47.3 1.0 CB B:PRO28 4.5 50.5 1.0 C2 B:GOL403 4.7 81.0 1.0 CG B:PRO123 4.7 31.8 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


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 LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:88.6 occ:1.00 O A:HOH711 3.3 44.4 1.0 O C:HOH664 3.3 54.7 1.0 NH2 C:ARG259 3.8 30.0 1.0 O A:HOH779 4.1 62.1 1.0 O C:HOH550 4.2 41.5 1.0 CB C:ALA203 4.3 32.4 1.0 O A:GLU197 4.4 37.2 1.0 CZ C:PHE204 4.6 28.2 1.0 CB A:GLU197 4.7 45.3 1.0 CZ C:ARG259 4.8 28.4 1.0 NH1 C:ARG259 5.0 27.7 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


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 LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:86.4 occ:1.00 O D:HOH555 2.8 81.2 1.0 ND1 D:HIS29 2.8 48.1 1.0 O3 D:GOL404 3.0 81.0 1.0 O D:HOH528 3.2 60.4 1.0 O D:HOH797 3.5 71.3 1.0 N D:HIS29 3.5 44.3 1.0 O D:HOH736 3.6 41.8 0.5 CG D:HIS29 3.8 45.9 1.0 CE1 D:HIS29 3.8 48.5 1.0 CB D:HIS29 3.9 43.6 1.0 O D:HOH736 4.1 36.5 0.5 CA D:PRO28 4.2 49.8 1.0 C D:PRO28 4.3 45.9 1.0 CA D:HIS29 4.3 43.2 1.0 C3 D:GOL404 4.4 80.6 1.0 CB D:PRO28 4.5 51.5 1.0 CG D:PRO123 4.9 35.1 1.0 NE2 D:HIS29 4.9 47.5 1.0 CD2 D:HIS29 4.9 46.2 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl407 b:77.0 occ:1.00 O D:HOH750 2.8 52.9 1.0 O D:HOH785 3.0 61.9 1.0 N D:LEU232 3.0 34.6 1.0 CG D:LEU232 3.5 40.6 1.0 CB D:LEU232 3.7 36.1 1.0 O D:HOH697 3.7 68.3 1.0 CA D:ASP231 3.7 39.4 1.0 CG D:ASP231 3.7 41.3 1.0 C D:ASP231 3.8 35.6 1.0 OD1 D:ASP231 3.8 39.5 1.0 OD2 D:ASP231 3.9 42.0 1.0 CA D:LEU232 3.9 34.7 1.0 CD1 D:LEU232 4.2 42.1 1.0 CB D:ASP231 4.3 41.1 1.0 O D:THR230 4.6 42.0 1.0 CD2 D:LEU232 4.7 41.1 1.0 N D:ARG233 4.8 35.6 1.0 N D:ASP231 4.8 40.2 1.0 C D:LEU232 4.9 35.0 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:69.8 occ:1.00 ND1 E:HIS29 3.2 55.6 1.0 O E:HOH541 3.4 58.8 1.0 O E:HOH708 3.5 60.2 1.0 N E:HIS29 3.6 51.9 1.0 CA E:PRO28 4.0 55.1 1.0 CE1 E:HIS29 4.1 55.6 1.0 CG E:HIS29 4.2 52.3 1.0 CB E:PRO28 4.2 57.8 1.0 CB E:HIS29 4.3 51.1 1.0 C E:PRO28 4.3 51.8 1.0 CA E:HIS29 4.6 50.0 1.0 O E:HOH508 5.0 72.0 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl404 b:66.0 occ:1.00 O F:HOH673 2.7 49.3 1.0 NH2 F:ARG105 3.5 28.0 1.0 O F:HOH764 3.5 55.2 1.0 NH1 F:ARG105 3.8 28.5 1.0 CZ F:ARG105 4.1 27.9 1.0 O F:HOH797 5.0 54.6 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of LAE6 SER161ALA Mutant, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl404 b:85.7 occ:1.00 ND1 G:HIS29 3.1 63.5 1.0 N G:HIS29 3.4 65.1 1.0 CA G:PRO28 3.8 68.2 1.0 CE1 G:HIS29 3.8 63.8 1.0 CB G:PRO28 3.9 69.7 1.0 CG G:HIS29 4.0 61.6 1.0 C G:PRO28 4.1 65.2 1.0 O G:HOH738 4.1 65.9 1.0 CB G:HIS29 4.3 61.8 1.0 CA G:HIS29 4.5 62.6 1.0 NE2 G:HIS29 4.9 61.5 1.0 CD2 G:HIS29 5.0 59.5 1.0

M.Martinez-Martinez, P.J.Stogios, X.Xu, M.Alcaide, V.Yim, H.Cui, M.Martinez-Martinez, M.Ferrer, A.Savchenko. N/A N/A.