Chlorine in PDB 7jhl: Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine

All present enzymatic activity of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine:
2.4.1.149;

The structure of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine, PDB code: 7jhl was solved by Y.Hao, X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.42 / 2.26
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.654, 76.638, 134.206, 90.00, 105.27, 90.00
R / Rfree (%)	17.5 / 22.4

The structure of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine (pdb code 7jhl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine, PDB code: 7jhl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:53.0 occ:1.00 CG A:ARG157 3.6 22.1 1.0 O A:HOH624 3.7 38.8 1.0 CB A:ALA156 3.8 18.7 1.0 O A:HOH633 3.9 46.3 1.0 N A:ARG157 3.9 23.6 1.0 CA A:HIS154 3.9 24.5 1.0 NE A:ARG157 4.0 31.9 1.0 N A:ALA156 4.1 24.6 1.0 C A:HIS154 4.2 23.8 1.0 CD A:ARG157 4.3 23.7 1.0 CA A:ALA156 4.4 23.7 1.0 CB A:HIS154 4.4 23.8 1.0 CB A:ARG157 4.4 21.2 1.0 O A:PRO153 4.5 25.3 1.0 CD2 A:HIS154 4.6 24.7 1.0 N A:PHE155 4.6 22.4 1.0 C A:ALA156 4.6 28.9 1.0 CG A:HIS154 4.6 26.2 1.0 O A:HIS154 4.7 24.5 1.0 CA A:ARG157 4.7 24.3 1.0 CG A:PRO380 4.9 22.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Beta 1,3-N-Acetylglucosaminyltransferase 2 with Udp-N-Acetylglucosamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:46.2 occ:1.00 CG B:ARG157 3.5 23.0 1.0 O B:HOH615 3.7 49.0 1.0 CA B:HIS154 3.8 23.6 1.0 N B:ARG157 3.9 26.0 1.0 O B:HOH628 3.9 46.1 1.0 O B:HOH579 3.9 56.2 1.0 NE B:ARG157 3.9 35.2 1.0 CB B:ALA156 4.0 17.5 1.0 N B:ALA156 4.2 23.8 1.0 CD B:ARG157 4.2 22.1 1.0 C B:HIS154 4.2 23.5 1.0 CB B:HIS154 4.3 26.5 1.0 O B:HOH623 4.3 49.0 1.0 CB B:ARG157 4.4 24.5 1.0 CD2 B:HIS154 4.4 24.6 1.0 CA B:ALA156 4.5 21.5 1.0 O B:PRO153 4.5 28.8 1.0 N B:PHE155 4.5 21.8 1.0 CG B:HIS154 4.5 28.5 1.0 C B:ALA156 4.6 24.4 1.0 CA B:ARG157 4.7 27.1 1.0 O B:HIS154 4.8 26.1 1.0 N B:HIS154 4.9 25.1 1.0 CG B:PRO380 5.0 30.2 1.0 CZ B:ARG157 5.0 37.6 1.0

Y.Hao, A.Crequer-Grandhomme, N.Javier, A.Singh, H.Chen, P.Manzanillo, M.C.Lo, X.Huang. Structures and Mechanism of Human Glycosyltransferase Beta 1,3-N-Acetylglucosaminyltransferase 2 (B3GNT2), An Important Player in Immune Homeostasis. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33158990
DOI: 10.1074/JBC.RA120.015306