Chlorine in PDB 7dup: A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron

All present enzymatic activity of A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron:
3.2.1.52;

The structure of A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron, PDB code: 7dup was solved by Z.Zhang, Y.He, Y.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.29 / 1.62
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.585, 63.001, 78.69, 90, 111.34, 90
R / Rfree (%)	14.5 / 18.9

The binding sites of Chlorine atom in the A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron (pdb code 7dup). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron, PDB code: 7dup:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:31.1 occ:1.00 CL A:CL606 3.0 31.6 1.0 NH1 A:ARG517 3.1 21.9 1.0 NH1 A:ARG159 3.3 21.1 1.0 CG A:GLN514 3.5 35.4 1.0 NE A:ARG517 3.8 18.6 1.0 CD A:PRO465 3.8 20.4 1.0 CZ A:ARG517 3.9 20.1 1.0 CA A:GLN464 3.9 19.4 1.0 CG A:GLN464 4.0 24.3 1.0 CB A:GLN464 4.1 21.9 1.0 CD A:GLN514 4.1 45.9 1.0 CB A:GLN514 4.1 27.8 1.0 O A:HOH821 4.2 18.6 1.0 CZ A:ARG159 4.3 20.7 1.0 NH2 A:ARG159 4.4 20.0 1.0 O A:TYR463 4.5 19.3 1.0 NE2 A:GLN514 4.5 55.0 1.0 N A:PRO465 4.6 18.1 1.0 CA A:GLN514 4.6 23.5 1.0 C A:GLN464 4.7 19.7 1.0 CG A:PRO465 4.7 22.4 1.0 NE2 A:GLN464 4.7 39.3 1.0 CD A:GLN464 4.7 31.5 1.0 OE1 A:GLN514 4.7 58.0 1.0 N A:GLN464 5.0 18.8 1.0

Chlorine binding site 2 out of 2 in the A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A New GH20 Apo Enzyme From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:31.6 occ:1.00 NH2 A:ARG159 3.0 20.0 1.0 CL A:CL605 3.0 31.1 1.0 N A:LEU466 3.2 21.2 1.0 NH1 A:ARG159 3.6 21.1 1.0 N A:PRO465 3.6 18.1 1.0 C A:GLN464 3.7 19.7 1.0 CD A:PRO465 3.7 20.4 1.0 CZ A:ARG159 3.7 20.7 1.0 CB A:GLN464 3.8 21.9 1.0 CA A:LEU466 3.8 20.6 1.0 CA A:GLN464 3.9 19.4 1.0 N A:LYS467 3.9 22.8 1.0 CB A:LEU466 3.9 21.5 1.0 C A:LEU466 4.0 19.9 1.0 OE1 A:GLN514 4.0 58.0 1.0 CD A:GLN514 4.1 45.9 1.0 CG A:PRO465 4.1 22.4 1.0 C A:PRO465 4.2 20.2 1.0 O A:GLN464 4.2 21.6 1.0 CA A:PRO465 4.4 20.4 1.0 CG A:GLN514 4.4 35.4 1.0 NE2 A:GLN514 4.6 55.0 1.0 CG A:GLN464 4.6 24.3 1.0 O A:HOH989 4.6 45.1 1.0 O A:LEU466 4.7 23.5 1.0 CA A:LYS467 4.7 26.7 1.0 CG A:LEU466 4.8 22.5 1.0 CB A:PRO465 4.9 21.7 1.0 CB A:GLN514 4.9 27.8 1.0

Z.Zhang, Y.He, Y.Jin. Structural and Biochemical Insights Into the Specificity and Evolution of Sulfoglycosidase To Be Published.