Bromine in PDB 5v2j: Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15S), with Udp and 2-Bromobenzoic Acid

The structure of Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15S), with Udp and 2-Bromobenzoic Acid, PDB code: 5v2j 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)	42.21 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.224, 87.410, 162.826, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.9

The binding sites of Bromine atom in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15S), with Udp and 2-Bromobenzoic Acid (pdb code 5v2j). 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 (T15S), with Udp and 2-Bromobenzoic Acid, PDB code: 5v2j:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15S), 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 (T15S), with Udp and 2-Bromobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:52.1 occ:1.00 BR1 A:7WV504 0.0 52.1 1.0 C04 A:7WV504 2.1 76.7 1.0 C03 A:7WV504 3.0 67.7 1.0 O09 A:7WV504 3.0 65.5 1.0 C05 A:7WV504 3.1 77.4 1.0 OG1 A:THR365 3.3 31.4 1.0 C07 A:7WV504 3.5 76.5 1.0 CE A:MET183 3.9 26.8 1.0 CZ A:PHE170 4.1 31.3 1.0 CB A:THR365 4.1 29.5 1.0 CZ A:PHE113 4.1 24.2 1.0 CG1 A:VAL184 4.2 25.3 1.0 CE2 A:PHE113 4.2 32.2 1.0 C02 A:7WV504 4.3 54.7 1.0 CG A:TYR180 4.3 27.1 1.0 C06 A:7WV504 4.4 63.0 1.0 CB A:TYR180 4.4 20.0 1.0 CH2 A:TRP364 4.4 31.7 1.0 O A:HOH610 4.4 30.1 1.0 CZ3 A:TRP364 4.6 34.2 1.0 CD2 A:TYR180 4.6 25.3 1.0 CE2 A:PHE170 4.6 29.7 1.0 CD1 A:TYR180 4.7 31.8 1.0 O08 A:7WV504 4.7 83.7 1.0 C01 A:7WV504 4.8 54.3 1.0 CG2 A:THR365 4.9 29.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15S), 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 (T15S), with Udp and 2-Bromobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Br504 b:61.2 occ:1.00 BR1 B:7WV504 0.0 61.2 1.0 C04 B:7WV504 2.1 45.7 1.0 C03 B:7WV504 2.9 38.6 1.0 O08 B:7WV504 3.0 69.8 1.0 C05 B:7WV504 3.1 50.0 1.0 OG1 B:THR365 3.5 38.0 1.0 C07 B:7WV504 3.6 70.7 1.0 CE B:MET183 3.9 36.1 1.0 CZ B:PHE113 4.0 30.3 1.0 CZ B:PHE170 4.1 41.1 1.0 CB B:THR365 4.1 37.5 1.0 CE2 B:PHE113 4.1 42.0 1.0 CH2 B:TRP364 4.1 44.2 1.0 CG1 B:VAL184 4.2 33.4 1.0 C02 B:7WV504 4.2 35.7 1.0 CZ3 B:TRP364 4.3 45.5 1.0 C06 B:7WV504 4.4 45.4 1.0 O B:HOH608 4.4 42.4 1.0 CG B:TYR180 4.5 29.6 1.0 CB B:TYR180 4.6 28.2 1.0 CE2 B:PHE170 4.6 37.2 1.0 O09 B:7WV504 4.8 78.3 1.0 C01 B:7WV504 4.8 40.3 1.0 CD2 B:TYR180 4.8 29.4 1.0 CD1 B:TYR180 4.8 33.8 1.0 CZ2 B:TRP364 4.9 37.6 1.0 CG2 B:THR365 4.9 33.9 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