Chlorine in PDB 6hzz: Structure of Human D-Glucuronyl C5 Epimerase

All present enzymatic activity of Structure of Human D-Glucuronyl C5 Epimerase:
5.1.3.17;

The structure of Structure of Human D-Glucuronyl C5 Epimerase, PDB code: 6hzz was solved by C.Debarnot, Y.R.Monneau, V.Roig-Zamboni, C.Le Narvor, A.Goulet, F.Fadel, R.R.Vives, D.Bonnaffe, H.Lortat-Jacob, Y.Bourne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.83 / 2.52
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	99.820, 99.820, 262.970, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 22.6

The structure of Structure of Human D-Glucuronyl C5 Epimerase also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Structure of Human D-Glucuronyl C5 Epimerase (pdb code 6hzz). 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 D-Glucuronyl C5 Epimerase, PDB code: 6hzz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human D-Glucuronyl C5 Epimerase


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 D-Glucuronyl C5 Epimerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1014 b:71.6 occ:1.00 O A:HOH1289 2.9 54.0 1.0 NE A:ARG185 3.2 44.9 1.0 NH2 A:ARG185 3.5 39.6 1.0 O A:HOH1231 3.5 40.0 1.0 N A:ASN181 3.6 39.3 1.0 CG A:TYR180 3.7 37.9 1.0 CZ A:ARG185 3.8 44.3 1.0 CB A:TYR180 3.8 37.3 1.0 O A:ASN181 3.8 39.4 1.0 CD2 A:TYR180 3.9 39.2 1.0 CA A:TYR180 3.9 35.9 1.0 C A:ASN181 4.0 38.5 1.0 C A:TYR180 4.3 37.5 1.0 CD1 A:TYR180 4.3 41.1 1.0 CD A:ARG185 4.3 43.2 1.0 CA A:ASN181 4.4 39.6 1.0 CG A:ARG185 4.4 40.6 1.0 N A:VAL182 4.5 38.6 1.0 CE2 A:TYR180 4.6 43.3 1.0 CA A:VAL182 4.9 37.5 1.0 CE1 A:TYR180 4.9 41.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Human D-Glucuronyl C5 Epimerase


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 D-Glucuronyl C5 Epimerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1013 b:68.9 occ:1.00 N B:ASN181 3.3 53.5 1.0 NE B:ARG185 3.4 60.9 1.0 NH2 B:ARG185 3.7 54.3 1.0 O B:ASN181 3.7 66.6 1.0 CA B:TYR180 3.8 46.1 1.0 CB B:TYR180 3.9 47.7 1.0 C B:ASN181 3.9 60.1 1.0 CZ B:ARG185 4.0 56.8 1.0 CG B:TYR180 4.0 48.2 1.0 C B:TYR180 4.1 48.3 1.0 CA B:ASN181 4.2 58.4 1.0 CG B:ARG185 4.4 63.5 1.0 CD2 B:TYR180 4.4 49.4 1.0 CD B:ARG185 4.4 61.9 1.0 CD1 B:TYR180 4.5 47.9 1.0 N B:VAL182 4.5 57.2 1.0 CA B:VAL182 4.8 54.6 1.0

C.Debarnot, Y.R.Monneau, V.Roig-Zamboni, V.Delauzun, C.Le Narvor, E.Richard, J.Henault, A.Goulet, F.Fadel, R.R.Vives, B.Priem, D.Bonnaffe, H.Lortat-Jacob, Y.Bourne. Substrate Binding Mode and Catalytic Mechanism of Human Heparan Sulfate D-Glucuronyl C5 Epimerase. Proc.Natl.Acad.Sci.Usa V. 116 6760 2019.
ISSN: ESSN 1091-6490
PubMed: 30872481
DOI: 10.1073/PNAS.1818333116