Chlorine in PDB 5jd3: Crystal Structure of LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain

The structure of Crystal Structure of LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain, PDB code: 5jd3 was solved by P.J.Stogios, X.Xu, B.Nocek, H.Cui, V.Yim, M.Martinez-Martinez, M.Alcaide, M.Ferrer, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.73 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.591, 129.452, 129.848, 90.00, 97.49, 90.00
R / Rfree (%)	18.4 / 23.6

The binding sites of Chlorine atom in the Crystal Structure of LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain (pdb code 5jd3). 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 LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain, PDB code: 5jd3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of LAE5, 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 LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:52.7 occ:1.00 ND2 A:ASN93 2.9 19.0 1.0 OG A:SER15 3.0 38.0 1.0 O A:HOH548 3.1 60.0 1.0 OD1 A:ASN93 3.1 25.2 1.0 CB A:SER15 3.3 29.3 1.0 N A:GLY64 3.4 34.3 1.0 CG A:ASN93 3.4 22.1 1.0 N A:SER15 3.5 23.5 1.0 CB A:ASP14 3.8 32.5 1.0 CA A:GLY64 4.0 34.0 1.0 CA A:SER15 4.0 29.5 1.0 O A:HOH532 4.1 58.2 1.0 NE2 A:HIS195 4.2 27.9 1.0 CG A:ASP14 4.2 38.1 1.0 C A:SER63 4.4 32.5 1.0 CA A:SER63 4.5 33.6 1.0 C A:ASP14 4.6 24.2 1.0 OD2 A:ASP14 4.7 40.3 1.0 OD1 A:ASP14 4.7 39.9 1.0 CA A:ASP14 4.7 28.6 1.0 C A:GLY64 4.8 30.3 1.0 CB A:ASN93 4.9 22.0 1.0 N A:ASN65 4.9 27.9 1.0 CB A:SER63 5.0 41.9 1.0 CE1 A:HIS195 5.0 27.8 1.0 N A:ILE16 5.0 33.0 1.0 C A:SER15 5.0 32.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of LAE5, 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 LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:54.5 occ:1.00 N C:ASN216 3.2 28.9 1.0 N C:LEU215 3.4 29.5 1.0 CB C:ASN216 3.8 44.6 1.0 O C:HOH527 3.9 49.6 1.0 CB C:LEU215 3.9 31.1 1.0 C C:GLY213 4.0 34.3 1.0 O C:GLY213 4.0 38.4 1.0 CA C:LEU215 4.0 29.7 1.0 CA C:ASN216 4.1 38.9 1.0 O C:HOH415 4.1 49.7 1.0 ND2 C:ASN216 4.1 51.5 1.0 C C:LEU215 4.1 30.9 1.0 N C:CYS214 4.2 30.1 1.0 CG C:ASN216 4.2 46.4 1.0 C C:CYS214 4.3 31.2 1.0 CA C:CYS214 4.4 33.9 1.0 CA C:GLY213 4.5 32.4 1.0 O C:ASN216 4.5 40.6 1.0 C C:ASN216 4.7 42.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of LAE5, 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 LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:74.8 occ:1.00 O B:HOH526 2.7 53.5 1.0 N E:ASP106 3.5 99.3 1.0 NH1 B:ARG56 3.5 48.5 1.0 N E:THR105 3.8 53.3 1.0 NH2 B:ARG56 4.0 42.1 1.0 CB E:ASP106 4.1 0.7 1.0 CZ B:ARG56 4.2 43.8 1.0 CA E:ASP106 4.3 96.3 1.0 C E:MET104 4.3 50.6 1.0 C E:THR105 4.5 98.7 1.0 CA E:THR105 4.5 56.4 1.0 CA E:MET104 4.5 52.2 1.0 N E:ARG107 4.6 84.3 1.0 CG E:ASP106 4.6 0.9 1.0 CB E:THR105 4.7 63.7 1.0 C E:ASP106 4.8 91.0 1.0 OD2 E:ASP106 4.9 0.4 1.0 O E:HOH569 4.9 60.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of LAE5, 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 LAE5, An Alpha/Beta Hydrolase Enzyme From the Metagenome of Lake Arreo, Spain within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:61.6 occ:1.00 O H:HOH509 3.0 50.1 1.0 O H:HOH524 3.3 50.3 1.0 N H:ASN216 3.3 44.8 1.0 N H:LEU215 3.5 40.5 1.0 O H:GLY213 3.7 51.0 1.0 O H:HOH458 3.7 60.5 1.0 C H:GLY213 3.9 47.5 1.0 CB H:LEU215 3.9 39.4 1.0 CB H:ASN216 3.9 45.5 1.0 CA H:LEU215 4.1 40.1 1.0 CA H:ASN216 4.1 47.6 1.0 C H:LEU215 4.2 45.7 1.0 O H:ASN216 4.2 55.2 1.0 ND2 H:ASN216 4.3 49.5 1.0 N H:CYS214 4.3 44.9 1.0 CG H:ASN216 4.4 46.2 1.0 CA H:GLY213 4.4 47.6 1.0 C H:CYS214 4.5 41.3 1.0 CA H:CYS214 4.6 44.3 1.0 C H:ASN216 4.6 53.4 1.0 O H:HOH517 4.9 54.2 1.0

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