Chlorine in PDB 8sye: X-Ray Crystal Structure of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6

The structure of X-Ray Crystal Structure of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6, PDB code: 8sye was solved by J.D.T.Jast, 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)	41.23 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.717, 128.061, 58.364, 90, 112.61, 90
R / Rfree (%)	19.9 / 23.2

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, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6 (pdb code 8sye). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 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, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6, PDB code: 8sye:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6


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, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:19.5 occ:1.00 O A:HOH550 3.0 10.9 1.0 O A:HOH559 3.0 12.8 1.0 NH2 A:ARG12 3.1 14.0 1.0 O A:HOH597 3.2 14.0 1.0 CD2 A:HIS208 3.5 12.7 1.0 CB A:HIS240 3.6 14.1 1.0 CB A:THR206 3.7 12.5 1.0 O A:HOH565 3.8 13.8 1.0 CG A:HIS208 4.0 13.3 1.0 CZ A:ARG12 4.1 15.4 1.0 N A:HIS240 4.2 14.8 1.0 CD2 A:HIS240 4.2 13.4 1.0 CB A:HIS208 4.2 12.8 1.0 CG2 A:THR206 4.2 12.2 1.0 CA A:HIS240 4.3 14.6 1.0 CG A:HIS240 4.3 14.1 1.0 NE2 A:HIS208 4.3 16.6 1.0 C5 A:MJL401 4.3 17.9 1.0 OG1 A:THR206 4.3 12.3 1.0 NH1 A:ARG12 4.4 15.2 1.0 N A:ILE207 4.4 13.4 1.0 O A:PRO238 4.5 17.0 1.0 CA A:THR206 4.6 13.0 1.0 O A:ILE207 4.6 12.8 1.0 O1A A:MJL401 4.7 13.8 1.0 C A:ILE207 4.7 12.4 1.0 C A:THR206 4.8 13.1 1.0 N A:HIS208 4.9 13.1 1.0 C6 A:MJL401 4.9 17.5 1.0 O2A A:MJL401 4.9 12.7 1.0

Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6


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, D98N Variant in the Presence of Udp-2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid and Udp at pH 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:17.8 occ:1.00 O B:HOH542 3.0 14.4 1.0 NH2 B:ARG12 3.0 13.6 1.0 O B:HOH568 3.0 13.1 1.0 O B:HOH616 3.4 17.1 1.0 ND1 B:HIS208 3.4 17.5 1.0 CB B:THR206 3.6 16.8 1.0 CB B:HIS240 3.7 18.0 1.0 O B:HOH523 3.7 15.1 1.0 CD2 B:HIS240 3.9 19.7 1.0 CG B:HIS208 4.0 18.1 1.0 CZ B:ARG12 4.1 15.2 1.0 CG B:HIS240 4.1 18.5 1.0 CB B:HIS208 4.2 17.1 1.0 OG1 B:THR206 4.2 17.1 1.0 CE1 B:HIS208 4.2 18.7 1.0 CG2 B:THR206 4.3 16.8 1.0 N B:HIS240 4.3 20.2 1.0 O B:PRO238 4.4 21.4 1.0 CA B:HIS240 4.4 21.0 1.0 O B:ILE207 4.4 19.0 1.0 NH1 B:ARG12 4.4 15.1 1.0 N B:ILE207 4.4 17.7 1.0 C5 B:MJL401 4.5 17.8 1.0 CA B:THR206 4.5 16.3 1.0 C B:ILE207 4.6 17.2 1.0 O1A B:MJL401 4.7 15.2 1.0 C B:THR206 4.8 16.1 1.0 O2A B:MJL401 4.8 15.7 1.0 N B:HIS208 4.9 15.5 1.0 CD2 B:HIS208 5.0 19.2 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