Chlorine in PDB 8ovt: Crystal Structure of the Ligand-Free Yegt Glycosyltransferase

The structure of Crystal Structure of the Ligand-Free Yegt Glycosyltransferase, PDB code: 8ovt was solved by C.Wirth, C.Hunte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.06 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	156.854, 156.854, 154.964, 90, 90, 90
R / Rfree (%)	20.4 / 24.5

The binding sites of Chlorine atom in the Crystal Structure of the Ligand-Free Yegt Glycosyltransferase (pdb code 8ovt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Ligand-Free Yegt Glycosyltransferase, PDB code: 8ovt:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Ligand-Free Yegt Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Ligand-Free Yegt Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:88.8 occ:1.00 N A:GLN18 3.3 85.3 1.0 N A:TYR19 3.4 74.2 1.0 N A:MET17 3.6 83.2 1.0 O A:HOH528 3.7 52.7 1.0 CB A:GLN18 3.9 77.8 1.0 CA A:GLN18 3.9 76.5 1.0 C A:SER16 4.0 86.5 1.0 C A:MET17 4.0 81.6 1.0 CA A:SER16 4.1 78.0 1.0 CB A:TYR19 4.1 68.5 1.0 C A:GLN18 4.2 77.2 1.0 CA A:MET17 4.2 67.9 1.0 O A:GLY15 4.2 92.6 1.0 CA A:TYR19 4.4 77.1 1.0 N A:SER16 4.4 82.4 1.0 C A:GLY15 4.5 85.1 1.0 CG A:GLN18 4.7 95.0 1.0 O A:SER16 4.8 90.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Ligand-Free Yegt Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Ligand-Free Yegt Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:64.0 occ:1.00 O B:ILE45 3.5 55.3 1.0 N B:ILE45 3.7 50.6 1.0 CE3 B:TRP44 3.9 35.4 1.0 CG1 B:ILE45 4.1 42.9 1.0 CA B:TRP44 4.2 46.6 1.0 CZ3 B:TRP44 4.3 33.0 1.0 O B:PHE129 4.3 53.3 1.0 CB B:PHE129 4.4 46.2 1.0 C B:ILE45 4.4 46.9 1.0 C B:TRP44 4.4 42.4 1.0 C B:PHE129 4.5 42.8 1.0 O B:ILE43 4.5 46.2 1.0 CD2 B:TRP44 4.6 47.5 1.0 CA B:ILE45 4.6 44.0 1.0 N B:ALA130 4.7 54.2 1.0 CB B:SER133 4.8 40.9 1.0 CA B:ALA130 4.9 42.9 1.0 N B:TRP44 4.9 49.7 1.0 C B:ILE43 5.0 42.8 1.0 CB B:ILE45 5.0 41.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Ligand-Free Yegt Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Ligand-Free Yegt Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:75.7 occ:1.00 O C:HOH502 3.1 66.2 1.0 NH1 C:ARG253 3.1 58.9 1.0 NH2 C:ARG253 3.4 61.8 1.0 CZ C:ARG253 3.7 66.4 1.0 CE C:MET258 4.1 61.0 1.0 O B:HOH510 4.4 56.6 1.0 OD2 C:ASP268 4.4 85.6 1.0 O B:GLN112 4.5 65.5 1.0 CG C:PRO259 4.5 51.9 1.0 OG1 B:THR118 4.6 67.8 1.0 CD C:PRO259 4.7 56.6 1.0 CB C:ASP268 4.7 83.6 1.0 CB C:PRO259 4.7 55.8 1.0 CG C:ASP268 5.0 82.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Ligand-Free Yegt Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Ligand-Free Yegt Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:72.1 occ:1.00 NZ D:LYS193 2.9 90.7 1.0 CB D:ASN194 3.9 60.1 1.0 O D:LYS142 3.9 56.1 1.0 OD1 D:ASN194 4.0 66.8 1.0 CG D:ASN194 4.2 60.5 1.0 CE D:LYS193 4.2 74.9 1.0 CD1 D:TYR143 4.2 62.5 1.0 CE1 D:TYR143 4.5 65.8 1.0 CA D:TYR143 4.5 57.7 1.0 CG D:LYS193 4.7 64.1 1.0 C D:LYS142 4.8 56.0 1.0 CA D:ASN194 4.8 56.7 1.0 CG D:TYR143 4.9 60.2 1.0 CG D:LYS142 4.9 48.6 1.0

S.Schneider, C.Wirth, T.Jank, C.Hunte, K.Aktories. Tyrosine-Modifying Glycosylation By Yersinia Effectors. J.Biol.Chem. 07331 2024.
ISSN: ESSN 1083-351X
PubMed: 38703997
DOI: 10.1016/J.JBC.2024.107331