Chlorine in PDB 6su7: Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline

The structure of Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline, PDB code: 6su7 was solved by F.Fredslund, D.Teze, B.Svensson, P.D.Adams, D.H.Welner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.28 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.353, 119.362, 170.626, 90.00, 90.00, 90.00
R / Rfree (%)	25.6 / 28.7

The binding sites of Chlorine atom in the Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline (pdb code 6su7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline, PDB code: 6su7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:61.1 occ:1.00 CL1 A:LV51001 0.0 61.1 1.0 C04 A:LV51001 1.8 56.0 1.0 C03 A:LV51001 2.7 56.1 1.0 C05 A:LV51001 2.8 50.9 1.0 HD12 A:ILE188 2.8 61.6 1.0 HB3 A:GLU394 3.1 54.3 1.0 CL2 A:LV51001 3.2 62.3 1.0 HG21 A:ILE188 3.3 55.6 1.0 HB A:ILE188 3.3 57.1 1.0 HZ A:PHE153 3.4 60.7 1.0 HZ A:PHE124 3.4 62.1 1.0 CD1 A:ILE188 3.7 51.3 1.0 HE1 A:PHE153 3.8 64.6 1.0 HD13 A:ILE188 3.9 61.6 1.0 HG3 A:PRO190 3.9 81.2 1.0 CB A:ILE188 4.0 47.5 1.0 CG2 A:ILE188 4.0 46.3 1.0 C02 A:LV51001 4.0 51.8 1.0 C06 A:LV51001 4.0 49.6 1.0 HE2 A:PHE124 4.0 60.8 1.0 HD2 A:PRO190 4.1 81.6 1.0 CB A:GLU394 4.1 45.2 1.0 HG21 A:THR149 4.1 55.3 1.0 CZ A:PHE153 4.2 50.5 1.0 CZ A:PHE124 4.2 51.7 1.0 HD11 A:LEU123 4.3 64.1 1.0 HB1 A:ALA393 4.3 57.8 1.0 CG1 A:ILE188 4.3 51.8 1.0 N A:GLU394 4.3 50.0 1.0 H A:GLU394 4.4 60.0 1.0 HG2 A:PRO190 4.4 81.2 1.0 HA A:ALA393 4.4 61.1 1.0 HD11 A:ILE188 4.4 61.6 1.0 CE1 A:PHE153 4.4 53.8 1.0 HB2 A:GLU394 4.4 54.3 1.0 CG A:PRO190 4.4 67.6 1.0 CE2 A:PHE124 4.5 50.6 1.0 HD3 A:PRO190 4.5 81.6 1.0 CD A:PRO190 4.5 68.0 1.0 C01 A:LV51001 4.6 51.1 1.0 HG13 A:ILE188 4.6 62.2 1.0 C A:ALA393 4.6 51.1 1.0 HG22 A:ILE188 4.6 55.6 1.0 HD11 A:LEU202 4.6 56.8 1.0 OE1 A:GLU394 4.7 43.2 1.0 HG23 A:ILE188 4.7 55.6 1.0 CA A:GLU394 4.7 47.1 1.0 HA A:GLU394 4.8 56.5 1.0 CG2 A:THR149 4.8 46.0 1.0 HG22 A:THR149 4.8 55.3 1.0 OE2 A:GLU88 4.8 52.9 1.0 CA A:ALA393 4.8 50.9 1.0 HD12 A:LEU123 4.8 64.1 1.0 HG3 A:GLU394 4.9 48.0 1.0 HG23 A:THR149 4.9 55.3 1.0 HD13 A:LEU202 4.9 56.8 1.0 CG A:GLU394 5.0 39.9 1.0

Chlorine binding site 2 out of 2 in the Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Complex Between A Udp-Glucosyltransferase From Polygonum Tinctorium Capable of Glucosylating Indoxyl and 3,4-Dichloroaniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:62.3 occ:1.00 CL2 A:LV51001 0.0 62.3 1.0 C03 A:LV51001 1.8 56.1 1.0 C02 A:LV51001 2.7 51.8 1.0 C04 A:LV51001 2.8 56.0 1.0 HD11 A:LEU123 2.9 64.1 1.0 HB2 A:SER145 3.0 42.4 1.0 CL1 A:LV51001 3.2 61.1 1.0 HG3 A:GLU394 3.2 48.0 1.0 HB3 A:GLU394 3.2 54.3 1.0 HG21 A:THR149 3.5 55.3 1.0 OG A:SER145 3.5 41.9 1.0 HD13 A:LEU123 3.5 64.1 1.0 CB A:SER145 3.5 35.3 1.0 CD1 A:LEU123 3.5 53.4 1.0 HB3 A:SER145 3.6 42.4 1.0 CD A:GLU394 3.6 39.9 1.0 OE1 A:GLU394 3.6 43.2 1.0 CG A:GLU394 3.7 39.9 1.0 HG A:SER145 3.7 50.3 1.0 HD12 A:LEU123 3.7 64.1 1.0 CB A:GLU394 3.9 45.2 1.0 C01 A:LV51001 4.0 51.1 1.0 C05 A:LV51001 4.0 50.9 1.0 OE2 A:GLU394 4.1 37.0 1.0 CG2 A:THR149 4.3 46.0 1.0 HG22 A:THR149 4.4 55.3 1.0 HB2 A:GLU394 4.4 54.3 1.0 HZ A:PHE153 4.4 60.7 1.0 H A:GLU394 4.5 60.0 1.0 C06 A:LV51001 4.6 49.6 1.0 HG2 A:GLU394 4.6 48.0 1.0 HZ A:PHE143 4.6 57.7 1.0 HB1 A:ALA393 4.7 57.8 1.0 HG21 A:ILE188 4.7 55.6 1.0 HD21 A:LEU123 4.8 65.9 1.0 HB A:THR149 4.8 56.1 1.0 CZ A:PHE143 4.9 48.0 1.0 CG A:LEU123 4.9 54.5 1.0 HE2 A:PHE124 4.9 60.8 1.0 N A:GLU394 4.9 50.0 1.0 CZ A:PHE153 5.0 50.5 1.0 HG23 A:THR149 5.0 55.3 1.0 CA A:SER145 5.0 34.4 1.0

D.Teze, J.Coines, F.Fredslund, K.D.Dubey, G.Bidart, P.D.Adams, J.E.Dueber, C.Rovira, B.Svensson, D.H.Welner. Insights Into Glycosyltransferases Specificity: Mutational, Structural and Computational Analysis of A True Trifunctional (O-/N-/S-) Glycosyltransferase To Be Published.