Bromine in PDB 4tu8: Structure of U2AF65 Variant with BRU5A6 Dna

The structure of Structure of U2AF65 Variant with BRU5A6 Dna, PDB code: 4tu8 was solved by K.J.Mclaughlin, J.L.Jenkins, A.A.Agrawal, C.L.Kielkopf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.07 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	164.040, 37.178, 100.710, 90.00, 125.66, 90.00
R / Rfree (%)	17.8 / 21.8

The binding sites of Bromine atom in the Structure of U2AF65 Variant with BRU5A6 Dna (pdb code 4tu8). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of U2AF65 Variant with BRU5A6 Dna, PDB code: 4tu8:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of U2AF65 Variant with BRU5A6 Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of U2AF65 Variant with BRU5A6 Dna within 5.0Å range: probe atom residue distance (Å) B Occ P:Br5 b:70.1 occ:1.00 BR P:BRU5 0.0 70.1 1.0 C5 P:BRU5 1.9 35.2 1.0 C6 P:BRU5 2.9 29.9 1.0 C4 P:BRU5 3.0 33.2 1.0 O P:HOH205 3.2 39.8 1.0 O4 P:BRU5 3.3 29.3 1.0 OP1 P:DU4 3.3 27.8 1.0 CE1 A:TYR152 3.6 29.9 1.0 CZ A:TYR152 3.7 29.3 1.0 O5' P:DU4 3.7 32.8 1.0 OH A:TYR152 3.9 27.6 1.0 P P:DU4 3.9 28.9 1.0 C5' P:DU4 4.0 35.0 1.0 O P:HOH210 4.0 41.8 1.0 CD1 A:TYR152 4.2 29.7 1.0 N1 P:BRU5 4.2 32.7 1.0 OP2 P:DU4 4.2 33.6 1.0 N3 P:BRU5 4.3 28.4 1.0 NZ A:LYS225 4.4 33.8 1.0 CE2 A:TYR152 4.4 26.0 1.0 NE2 A:HIS230 4.4 42.7 1.0 CE A:LYS225 4.4 36.9 1.0 CE1 A:HIS230 4.7 37.1 1.0 C2 P:BRU5 4.7 30.7 1.0 CG A:TYR152 4.8 32.0 1.0 OP2 P:BRU5 4.8 30.3 1.0 CD2 A:TYR152 4.9 28.7 1.0 C3' P:DU4 4.9 29.8 1.0 O5' P:BRU5 4.9 30.2 1.0

Bromine binding site 2 out of 2 in the Structure of U2AF65 Variant with BRU5A6 Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of U2AF65 Variant with BRU5A6 Dna within 5.0Å range: probe atom residue distance (Å) B Occ E:Br5 b:52.5 occ:1.00 BR E:BRU5 0.0 52.5 1.0 C5 E:BRU5 1.9 27.5 1.0 C6 E:BRU5 2.9 29.3 1.0 C4 E:BRU5 3.0 34.6 1.0 OP1 E:DU4 3.2 24.5 1.0 O4 E:BRU5 3.2 33.6 1.0 O E:HOH113 3.4 47.4 1.0 O E:HOH105 3.5 46.4 1.0 CE1 B:TYR152 3.6 28.4 1.0 CZ B:TYR152 3.7 24.4 1.0 O5' E:DU4 3.7 28.9 1.0 P E:DU4 3.8 28.3 1.0 C5' E:DU4 3.9 28.8 1.0 OH B:TYR152 3.9 26.7 1.0 O E:HOH104 4.0 36.5 1.0 CD1 B:TYR152 4.1 22.9 1.0 N1 E:BRU5 4.2 27.4 1.0 OP2 E:DU4 4.2 29.3 1.0 N3 E:BRU5 4.2 33.8 1.0 NZ B:LYS225 4.3 34.9 1.0 CE2 B:TYR152 4.3 23.7 1.0 CE B:LYS225 4.5 33.3 1.0 CG B:TYR152 4.7 24.1 1.0 C2 E:BRU5 4.7 29.5 1.0 NE2 B:HIS230 4.7 47.3 1.0 CD2 B:TYR152 4.7 26.0 1.0 CE1 B:HIS230 4.8 41.0 1.0 OP2 E:BRU5 4.9 30.8 1.0 C3' E:DU4 4.9 28.3 1.0 C4' E:DU4 4.9 27.9 1.0 O5' E:BRU5 5.0 33.3 1.0

A.A.Agrawal, K.J.Mclaughlin, J.L.Jenkins, K.J.Kielkopf. A Structure-Guided U2AF65 Variant Improves Recognition and Splicing of A Defective Pre-Mrna Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490