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

Protein crystallography data

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

Bromine Binding Sites:

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 5u6s

Go back to Bromine Binding Sites List in 5u6s
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 5u6s

Go back to Bromine Binding Sites List in 5u6s
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

Reference:

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
Page generated: Mon Jul 7 09:18:41 2025

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