Bromine in PDB 5v2k: Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15A), with Udp and 2-Bromobenzoic Acid

The structure of Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15A), with Udp and 2-Bromobenzoic Acid, PDB code: 5v2k 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)	43.93 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.122, 87.270, 162.674, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.4

The binding sites of Bromine atom in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15A), with Udp and 2-Bromobenzoic Acid (pdb code 5v2k). 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 (T15A), with Udp and 2-Bromobenzoic Acid, PDB code: 5v2k:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15A), 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 (T15A), with Udp and 2-Bromobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:50.4 occ:1.00 BR1 A:7WV504 0.0 50.4 1.0 C04 A:7WV504 2.1 48.0 1.0 C03 A:7WV504 3.0 42.3 1.0 O09 A:7WV504 3.0 45.7 1.0 C05 A:7WV504 3.1 45.8 1.0 OG1 A:THR365 3.3 35.3 1.0 C07 A:7WV504 3.4 53.7 1.0 CE A:MET183 3.8 31.1 1.0 CZ A:PHE170 4.0 41.7 1.0 CZ A:PHE113 4.0 36.3 1.0 CB A:THR365 4.1 34.4 1.0 CG1 A:VAL184 4.1 33.8 1.0 CE2 A:PHE113 4.2 37.8 1.0 CH2 A:TRP364 4.3 35.1 1.0 C02 A:7WV504 4.3 44.9 1.0 C06 A:7WV504 4.4 48.7 1.0 CG A:TYR180 4.4 31.6 1.0 CZ3 A:TRP364 4.4 40.7 1.0 CB A:TYR180 4.4 29.4 1.0 O A:HOH604 4.4 39.9 1.0 CE2 A:PHE170 4.6 40.7 1.0 CD1 A:TYR180 4.6 30.9 1.0 O08 A:7WV504 4.7 56.5 1.0 CD2 A:TYR180 4.7 39.5 1.0 C01 A:7WV504 4.9 43.5 1.0 CG2 A:THR365 4.9 34.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Udp-Glucosyltransferase, UGT74F2 (T15A), 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 (T15A), with Udp and 2-Bromobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Br504 b:62.1 occ:1.00 BR1 B:7WV504 0.0 62.1 1.0 C04 B:7WV504 2.0 50.8 1.0 C03 B:7WV504 2.9 44.7 1.0 O08 B:7WV504 3.0 59.7 1.0 C05 B:7WV504 3.0 47.1 1.0 C07 B:7WV504 3.4 56.7 1.0 OG1 B:THR365 3.4 48.1 1.0 CE B:MET183 3.8 48.6 1.0 CZ B:PHE113 3.9 48.2 1.0 CZ B:PHE170 4.0 51.5 1.0 CE2 B:PHE113 4.1 52.1 1.0 CB B:THR365 4.1 45.8 1.0 CH2 B:TRP364 4.1 55.7 1.0 CG1 B:VAL184 4.2 45.5 1.0 C02 B:7WV504 4.2 43.4 1.0 C06 B:7WV504 4.3 47.8 1.0 CZ3 B:TRP364 4.3 59.8 1.0 O B:HOH615 4.5 53.6 1.0 CG B:TYR180 4.5 38.3 1.0 CB B:TYR180 4.6 41.8 1.0 O09 B:7WV504 4.6 53.1 1.0 CE2 B:PHE170 4.6 47.8 1.0 CD2 B:TYR180 4.7 41.9 1.0 C01 B:7WV504 4.8 45.4 1.0 CZ2 B:TRP364 4.9 53.8 1.0 CG2 B:THR365 4.9 42.6 1.0 CD1 B:TYR180 4.9 37.6 1.0 CE1 B:PHE113 5.0 50.2 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