Chlorine in PDB 8sy0: X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27 in Complex with Its Product Udp-2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid at 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 in Complex with Its Product Udp-2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid at pH 9, PDB code: 8sy0 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)	40.67 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.34, 128.608, 58.934, 90, 111.24, 90
R / Rfree (%)	18 / 23.1

The structure of X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27 in Complex with Its Product Udp-2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid at pH 9 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

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 in Complex with Its Product Udp-2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid at pH 9 (pdb code 8sy0). 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 X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27 in Complex with Its Product Udp-2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid at pH 9, PDB code: 8sy0:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of Udp- 2,3-Diacetamido-2,3-Dideoxy-Glucuronic Acid-2-Epimerase From Thermus Thermophilus Strain HB27 in Complex with Its Product Udp-2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid at 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 in Complex with Its Product Udp-2,3-Diacetamido-2,3-Dideoxy-D-Mannuronic Acid at pH 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:39.6 occ:1.00 O B:HOH540 3.2 23.0 1.0 O B:HOH581 3.5 33.7 1.0 NH2 B:ARG76 3.6 23.2 1.0 N B:GLY66 3.7 20.1 1.0 CA B:ILE65 3.8 22.2 1.0 CG2 B:ILE65 3.8 21.7 1.0 O B:GLY66 3.9 19.7 1.0 CD B:ARG76 4.0 21.3 1.0 CB B:ILE65 4.1 21.8 1.0 C B:ILE65 4.3 20.6 1.0 CG1 B:ILE65 4.3 22.1 1.0 O B:GLY64 4.3 26.6 1.0 CZ B:ARG76 4.6 23.6 1.0 C B:GLY66 4.6 20.4 1.0 CA B:GLY66 4.7 19.5 1.0 NE B:ARG76 4.8 24.4 1.0 N B:ILE65 4.9 25.6 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