Chlorine in PDB 1nzd: T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I

All present enzymatic activity of T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I:
2.4.1.27;

The structure of T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I, PDB code: 1nzd was solved by L.Lariviere, S.Morera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.937, 67.403, 70.584, 90.00, 98.06, 90.00
R / Rfree (%)	18.6 / 21.5

The binding sites of Chlorine atom in the T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I (pdb code 1nzd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I, PDB code: 1nzd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl352 b:22.9 occ:1.00 OH A:TYR261 2.9 19.5 1.0 O A:HOH726 2.9 43.6 1.0 NH1 A:ARG102 3.2 26.0 1.0 CG A:ARG102 3.3 22.3 1.0 N A:ARG102 3.3 17.8 1.0 CB A:ARG102 3.5 19.6 1.0 CD A:ARG102 3.6 23.8 1.0 CE1 A:TYR261 3.6 19.3 1.0 CZ A:TYR261 3.7 19.8 1.0 CZ A:ARG191 3.8 28.5 1.0 N A:ILE101 3.8 18.6 1.0 NE A:ARG191 4.0 31.1 1.0 CA A:ARG102 4.0 20.2 1.0 NH1 A:ARG191 4.0 28.0 1.0 NH2 A:ARG191 4.1 26.2 1.0 CZ A:ARG102 4.3 27.6 1.0 C A:ILE101 4.3 19.7 1.0 C A:ALA100 4.3 17.3 1.0 CA A:ILE101 4.3 19.7 1.0 CB A:ILE101 4.3 20.9 1.0 CB A:ALA100 4.4 17.2 1.0 NE A:ARG102 4.4 25.5 1.0 CD A:ARG191 4.5 32.2 1.0 CA A:ALA100 4.5 18.6 1.0 OD2 A:ASP258 4.9 22.8 1.0 CD1 A:TYR261 5.0 18.8 1.0 O A:ALA100 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in the T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Phage Bgt-D100A Mutant in Complex with Udp-Glucose: Form I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl353 b:34.2 occ:1.00 O A:HOH414 2.9 22.0 1.0 NZ A:LYS166 3.1 26.4 1.0 N A:SER244 3.2 20.4 1.0 N A:VAL243 3.5 20.1 1.0 O A:ASN241 3.5 27.4 1.0 O A:MET240 3.5 25.6 1.0 C A:ASN241 3.5 25.8 1.0 CB A:SER244 3.7 21.9 1.0 O A:HOH717 3.7 46.8 1.0 OG A:SER244 3.8 19.4 1.0 N A:MET242 3.9 24.7 1.0 O A:HOH563 3.9 41.3 1.0 CA A:ASN241 4.0 24.9 1.0 CA A:VAL243 4.1 19.9 1.0 CA A:SER244 4.1 21.1 1.0 O A:HOH623 4.1 43.4 1.0 CE A:LYS166 4.1 25.9 1.0 C A:MET242 4.1 21.6 1.0 C A:VAL243 4.1 20.5 1.0 CB A:VAL243 4.2 19.9 1.0 CA A:MET242 4.3 25.0 1.0 C A:MET240 4.5 23.9 1.0 CD A:LYS166 4.6 26.7 1.0 O A:HOH443 4.8 41.6 1.0 N A:ASN241 4.8 24.6 1.0 N A:GLU245 4.9 21.9 1.0

L.Lariviere, V.Gueguen-Chaignon, S.Morera. Crystal Structures of the T4 Phage Beta-Glucosyltransferase and the D100A Mutant in Complex with Udp-Glucose: Glucose Binding and Identification of the Catalytic Base For A Direct Displacement Mechanism J.Mol.Biol. V. 330 1077 2003.
ISSN: ISSN 0022-2836
PubMed: 12860129
DOI: 10.1016/S0022-2836(03)00635-1