Bromine in PDB 5u6s: Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid

The structure of Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid, PDB code: 5u6s was solved by A.M.George Thompson, C.V.Iancu, J.V.Dean, J.Choe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.54 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.147, 87.249, 162.115, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.8

The binding sites of Bromine atom in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid (pdb code 5u6s). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid, PDB code: 5u6s:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:0.0 occ:1.00 BR1 A:7WV504 0.0 0.0 1.0 C04 A:7WV504 2.0 0.3 1.0 C03 A:7WV504 2.9 70.7 1.0 C05 A:7WV504 2.9 99.4 1.0 O09 A:7WV504 3.0 0.5 1.0 C07 A:7WV504 3.3 0.3 1.0 OG1 A:THR365 3.6 37.8 1.0 CB A:THR365 4.0 25.0 1.0 CE A:MET183 4.0 26.3 1.0 CZ A:PHE170 4.1 32.7 1.0 C02 A:7WV504 4.2 61.9 1.0 C06 A:7WV504 4.2 88.0 1.0 CE2 A:PHE113 4.2 37.5 1.0 CZ A:PHE113 4.3 32.6 1.0 CG A:TYR180 4.3 34.1 1.0 CG1 A:VAL184 4.4 22.0 1.0 CH2 A:TRP364 4.4 46.8 1.0 CB A:TYR180 4.4 27.4 1.0 O08 A:7WV504 4.5 0.7 1.0 CG2 A:THR365 4.5 26.5 1.0 O A:HOH602 4.5 33.5 1.0 CD1 A:TYR180 4.5 35.4 1.0 CZ3 A:TRP364 4.6 45.9 1.0 CD2 A:TYR180 4.6 33.6 1.0 CE2 A:PHE170 4.7 38.0 1.0 C01 A:7WV504 4.7 75.1 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Udp-Glucosyltransferase, UGT74F2, with Udp and 2- Bromobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Br504 b:0.5 occ:1.00 BR1 B:7WV504 0.0 0.5 1.0 C04 B:7WV504 2.0 79.0 1.0 C03 B:7WV504 2.9 49.0 1.0 C05 B:7WV504 3.0 74.1 1.0 O08 B:7WV504 3.0 82.3 1.0 OG1 B:THR365 3.5 39.5 1.0 C07 B:7WV504 3.5 83.7 1.0 CE B:MET183 3.8 30.3 1.0 CZ B:PHE113 3.8 35.6 1.0 CE2 B:PHE113 3.9 46.1 1.0 CB B:THR365 4.0 29.9 1.0 C02 B:7WV504 4.2 52.5 1.0 CZ B:PHE170 4.2 46.4 1.0 CG1 B:VAL184 4.3 32.1 1.0 C06 B:7WV504 4.3 58.1 1.0 CH2 B:TRP364 4.5 47.9 1.0 O B:HOH604 4.5 40.4 1.0 CG2 B:THR365 4.6 27.2 1.0 CG B:TYR180 4.6 37.7 1.0 CZ3 B:TRP364 4.6 44.2 1.0 CB B:TYR180 4.6 33.0 1.0 O09 B:7WV504 4.7 82.5 1.0 C01 B:7WV504 4.7 58.2 1.0 CE2 B:PHE170 4.8 42.0 1.0 CD2 B:TYR180 4.9 33.6 1.0 CE1 B:PHE113 4.9 39.3 1.0 CD1 B:TYR180 4.9 32.8 1.0

A.M.George Thompson, C.V.Iancu, K.E.Neet, J.V.Dean, J.Y.Choe. Differences in Salicylic Acid Glucose Conjugations By UGT74F1 and UGT74F2 From Arabidopsis Thaliana. Sci Rep V. 7 46629 2017.
ISSN: ESSN 2045-2322
PubMed: 28425481
DOI: 10.1038/SREP46629