Chlorine in PDB 6t0e: The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate

The structure of The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate, PDB code: 6t0e was solved by S.Mazurkewich, J.C.Navarro Poulsen, J.Larsbrink, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.45 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.719, 87.611, 173.910, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 21.6

The structure of The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate (pdb code 6t0e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate, PDB code: 6t0e:

Chlorine binding site 1 out of 1 in the The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:54.8 occ:1.00 HE21 A:GLN188 2.0 48.4 1.0 HH11 A:ARG192 2.5 33.1 1.0 HE21 B:GLN188 2.6 46.8 1.0 HH11 B:ARG192 2.6 36.1 1.0 NE2 A:GLN188 2.8 40.4 1.0 HG3 A:GLN188 3.0 45.8 1.0 O A:HOH784 3.1 41.1 1.0 NE2 B:GLN188 3.2 39.0 1.0 NH1 A:ARG192 3.3 27.6 1.0 NH1 B:ARG192 3.3 30.1 1.0 HE22 A:GLN188 3.4 48.4 1.0 HH12 B:ARG192 3.4 36.1 1.0 HD3 A:ARG192 3.4 38.5 1.0 HG3 B:GLN188 3.4 55.9 1.0 HG2 A:GLN188 3.4 45.8 1.0 HH12 A:ARG192 3.4 33.1 1.0 CG A:GLN188 3.5 38.2 1.0 HE22 B:GLN188 3.5 46.8 1.0 HD3 B:ARG192 3.6 39.1 1.0 O B:HOH736 3.6 42.7 1.0 CD A:GLN188 3.6 53.8 1.0 HG3 A:ARG192 3.6 38.0 1.0 HG2 A:ARG192 3.8 38.0 1.0 CD B:GLN188 4.0 46.7 1.0 CG A:ARG192 4.0 31.7 1.0 CG B:GLN188 4.1 46.6 1.0 CD A:ARG192 4.1 32.1 1.0 HD13 A:LEU419 4.2 40.4 1.0 HD13 B:LEU419 4.3 33.0 1.0 HG3 B:ARG192 4.4 38.0 1.0 CZ A:ARG192 4.4 26.4 1.0 CD B:ARG192 4.4 32.6 1.0 HD11 A:LEU419 4.4 40.4 1.0 HG2 B:GLN188 4.5 55.9 1.0 HG2 B:ARG192 4.5 38.0 1.0 CZ B:ARG192 4.5 31.8 1.0 O B:HOH640 4.6 33.4 1.0 CG B:ARG192 4.7 31.7 1.0 NE A:ARG192 4.7 31.1 1.0 CD1 A:LEU419 4.8 33.7 1.0 OE1 A:GLN188 4.8 55.2 1.0 O A:HOH673 4.9 39.1 1.0 HA B:ALA416 4.9 32.5 1.0 HD2 A:ARG192 4.9 38.5 1.0 O B:HOH675 4.9 30.7 1.0 HD12 B:LEU419 4.9 33.0 1.0 NE B:ARG192 5.0 32.3 1.0 CB A:GLN188 5.0 32.2 1.0

S.Mazurkewich, J.C.Navarro Poulsen, J.Larsbrink, L.Lo Leggio. The Glucuronoyl Esterase OTCE15A S267A Variant From Opitutus Terrae in Complex with Benzyl D-Glucuronoate and D-Glucuronate To Be Published.