Chlorine in PDB 6buq: Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid

All present enzymatic activity of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid:
3.5.2.15;

The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid, PDB code: 6buq was solved by K.Shi, H.Aihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.71 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.050, 89.770, 198.710, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.2

The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid (pdb code 6buq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid, PDB code: 6buq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:41.0 occ:1.00 H A:GLY53 2.1 24.9 1.0 HA A:PHE50 2.4 22.5 1.0 HB2 A:ARG52 2.6 24.1 1.0 O A:ASP49 2.7 19.0 1.0 HB3 A:GLU235 2.7 28.0 1.0 OE1 A:GLU235 2.8 21.2 1.0 O A:HOH726 2.9 23.8 1.0 N A:GLY53 2.9 20.7 1.0 HG12 A:VAL234 3.0 28.1 1.0 HE A:ARG52 3.2 25.1 1.0 CA A:PHE50 3.3 18.8 1.0 HA3 A:GLY53 3.3 25.5 1.0 HG13 A:VAL234 3.4 28.1 1.0 H A:ARG52 3.5 24.2 1.0 CB A:ARG52 3.5 20.1 1.0 CG1 A:VAL234 3.6 23.4 1.0 CB A:GLU235 3.6 23.3 1.0 CD A:GLU235 3.6 22.6 1.0 C A:PHE50 3.7 19.6 1.0 C A:ASP49 3.7 19.3 1.0 CA A:GLY53 3.7 21.2 1.0 HH21 A:ARG52 3.7 23.4 1.0 N A:ARG52 3.8 20.1 1.0 C A:ARG52 3.8 20.4 1.0 HG11 A:VAL234 3.8 28.1 1.0 O A:PHE50 3.8 19.6 1.0 N A:PHE50 3.9 19.6 1.0 CA A:ARG52 3.9 20.0 1.0 HD1 A:PHE50 4.0 26.1 1.0 H A:GLU235 4.0 27.1 1.0 HB3 A:ARG52 4.0 24.1 1.0 NE A:ARG52 4.0 20.9 1.0 CG A:GLU235 4.1 23.2 1.0 HA2 A:GLY53 4.1 25.5 1.0 HB2 A:GLU235 4.2 28.0 1.0 HG3 A:GLU235 4.2 27.9 1.0 N A:GLU235 4.3 22.6 1.0 N A:THR51 4.4 19.7 1.0 CB A:PHE50 4.4 19.2 1.0 NH2 A:ARG52 4.4 19.5 1.0 HB3 A:PHE50 4.4 23.1 1.0 HG3 A:ARG52 4.4 24.6 1.0 H A:VAL234 4.5 25.3 1.0 H A:PHE54 4.5 25.7 1.0 CA A:GLU235 4.5 24.0 1.0 CD1 A:PHE50 4.5 21.7 1.0 CG A:ARG52 4.5 20.5 1.0 HA A:GLU235 4.6 28.9 1.0 OE2 A:GLU235 4.6 22.8 1.0 HE2 B:PHE54 4.6 27.4 1.0 H A:THR51 4.7 23.6 1.0 CZ A:ARG52 4.7 21.1 1.0 C A:THR51 4.8 19.0 1.0 H A:PHE50 4.8 23.5 1.0 CG A:PHE50 4.8 20.8 1.0 CD A:ARG52 4.9 21.4 1.0 C A:GLY53 4.9 20.7 1.0 HA A:ARG52 4.9 24.0 1.0 O A:HOH571 4.9 30.1 1.0 O A:ARG52 5.0 20.3 1.0 HG2 A:GLU235 5.0 27.9 1.0 N A:VAL234 5.0 21.1 1.0 CB A:VAL234 5.0 23.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:62.8 occ:1.00 HE2 B:LYS28 2.8 0.5 1.0 HE3 B:LYS28 3.0 0.5 1.0 HZ3 B:LYS28 3.2 0.0 1.0 CE B:LYS28 3.3 85.4 1.0 NZ B:LYS28 3.7 90.8 1.0 HZ2 B:LYS28 4.3 0.0 1.0 HZ1 B:LYS28 4.3 0.0 1.0 CD B:LYS28 4.7 73.2 1.0 HD3 B:LYS28 4.8 87.8 1.0

K.Shi, S.Cho, B.Asim, J.L.Seffernick, L.P.Wackett, H.Aihara. Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica To Be Published.