Chlorine in PDB 8sxv: X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9

The structure of X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9, PDB code: 8sxv was solved by J.O.Mcknight, J.B.Thoden, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.07 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.675, 88.926, 87.567, 90, 98.79, 90
R / Rfree (%)	19.8 / 25.9

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9 (pdb code 8sxv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9, PDB code: 8sxv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:34.0 occ:1.00 NE2 A:GLN14 3.4 18.1 1.0 CG A:GLN14 3.5 18.1 1.0 CA A:GLY97 3.8 18.4 1.0 N A:ASP98 3.9 17.6 1.0 CD A:GLN14 4.0 17.7 1.0 OD1 A:ASP98 4.0 17.3 1.0 CG2 A:THR99 4.1 14.6 1.0 CB A:PRO13 4.2 20.4 1.0 C A:GLY97 4.4 17.6 1.0 O A:TYR96 4.4 21.1 1.0 CG A:PRO13 4.5 21.7 1.0 NZ A:LYS17 4.7 29.9 1.0 N A:GLY97 4.7 18.7 1.0 N A:GLN14 4.8 19.5 1.0 CB A:ALA11 4.9 22.5 1.0 C A:TYR96 4.9 19.8 1.0 CB A:GLN14 4.9 20.0 1.0 CG A:ASP98 4.9 16.8 1.0 N A:THR99 5.0 13.9 1.0

Chlorine binding site 2 out of 4 in the X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:52.2 occ:1.00 O B:GLY68 3.7 21.4 1.0 NE2 B:HIS70 4.0 17.9 1.0 CE1 B:HIS70 4.0 17.7 1.0 CD2 B:HIS70 4.3 16.9 1.0 ND1 B:HIS70 4.3 15.8 1.0 N B:HIS70 4.3 14.4 1.0 O B:HOH590 4.4 39.1 1.0 CG B:HIS70 4.5 15.8 1.0 C B:THR69 4.6 15.7 1.0 CA B:THR69 4.7 17.9 1.0 C B:GLY68 4.8 21.3 1.0 ND2 B:ASN73 5.0 20.1 1.0

Chlorine binding site 3 out of 4 in the X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:54.6 occ:1.00 O B:HOH504 3.4 21.5 1.0 CG2 B:VAL110 3.9 19.3 1.0 O A:ARG128 3.9 36.3 1.0 O B:VAL110 4.1 16.1 1.0 CA B:HIS113 4.2 22.7 1.0 C A:ARG128 4.3 34.8 1.0 OD1 B:ASP144 4.3 35.5 1.0 OD2 B:ASP144 4.4 35.7 1.0 CD2 B:HIS113 4.4 28.8 1.0 N A:ARG129 4.6 31.7 1.0 CA A:ARG129 4.6 34.7 1.0 CB B:HIS113 4.8 24.4 1.0 CG A:ARG128 4.8 53.8 1.0 CG B:ASP144 4.8 33.1 1.0 O A:HOH546 4.8 24.8 1.0 C B:HIS113 4.8 24.1 1.0 CG A:ARG129 4.8 46.3 1.0 CG B:HIS113 4.8 26.1 1.0 CB A:ARG128 4.9 44.0 1.0 CA B:VAL110 4.9 14.9 1.0 C B:VAL110 4.9 15.7 1.0 N B:HIS113 5.0 19.4 1.0 CB B:VAL110 5.0 17.4 1.0

Chlorine binding site 4 out of 4 in the X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, Apo Form, pH 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:38.3 occ:1.00 O B:HOH554 2.6 20.5 1.0 NE2 B:GLN14 3.3 23.4 1.0 O B:HOH615 3.3 30.8 1.0 CG B:GLN14 3.8 21.0 1.0 N B:ASP98 3.9 14.1 1.0 OD1 B:ASP98 3.9 18.7 1.0 CA B:GLY97 4.0 14.8 1.0 CD B:GLN14 4.1 20.6 1.0 CG2 B:THR99 4.1 19.1 1.0 C B:GLY97 4.5 13.6 1.0 O B:TYR96 4.5 14.3 1.0 CB B:PRO13 4.6 16.4 1.0 CG B:PRO13 4.7 16.4 1.0 CB B:ALA11 4.7 20.0 1.0 CG B:ASP98 4.8 17.6 1.0 N B:THR99 4.8 14.0 1.0 N B:GLY97 4.8 14.3 1.0 CA B:ASP98 4.9 15.4 1.0 C B:TYR96 4.9 14.5 1.0

J.B.Thoden, J.O.Mcknight, C.W.Kroft, J.D.T.Jast, H.M.Holden. Structural Analysis of A Bacterial Udp-Sugar 2-Epimerase Reveals the Active Site Architecture Before and After Catalysis. J.Biol.Chem. 05200 2023.
ISSN: ESSN 1083-351X
PubMed: 37660908
DOI: 10.1016/J.JBC.2023.105200