Fluorine in PDB 5urj: Crystal Structure of Human BRR2 in Complex with T-3905516

All present enzymatic activity of Crystal Structure of Human BRR2 in Complex with T-3905516:
3.6.4.13;

The structure of Crystal Structure of Human BRR2 in Complex with T-3905516, PDB code: 5urj was solved by M.G.Klein, R.Tjhen, L.Qin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.46 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	144.909, 153.954, 142.474, 90.00, 120.50, 90.00
R / Rfree (%)	23.7 / 28.6

The binding sites of Fluorine atom in the Crystal Structure of Human BRR2 in Complex with T-3905516 (pdb code 5urj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human BRR2 in Complex with T-3905516, PDB code: 5urj:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human BRR2 in Complex with T-3905516


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human BRR2 in Complex with T-3905516 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2202 b:81.8 occ:1.00 F37 A:8LS2202 0.0 81.8 1.0 C36 A:8LS2202 1.4 76.8 1.0 C31 A:8LS2202 2.4 72.3 1.0 C35 A:8LS2202 2.4 79.9 1.0 C7 A:8LS2202 2.8 67.6 1.0 N A:VAL1256 3.1 66.8 1.0 C A:PHE1255 3.1 67.8 1.0 C A:VAL1256 3.1 66.6 1.0 CB A:PHE1255 3.2 65.3 1.0 CA A:VAL1256 3.3 66.2 1.0 O A:PHE1255 3.3 64.8 1.0 N A:PRO1257 3.3 66.0 1.0 OG1 A:THR1197 3.5 70.1 1.0 O A:VAL1256 3.5 72.2 1.0 O8 A:8LS2202 3.6 69.0 1.0 N32 A:8LS2202 3.6 86.8 1.0 C34 A:8LS2202 3.6 83.8 1.0 CD A:PRO1257 3.7 65.1 1.0 CA A:PHE1255 3.8 62.1 1.0 C33 A:8LS2202 4.1 86.2 1.0 C6 A:8LS2202 4.1 71.0 1.0 CA A:PRO1257 4.1 69.3 1.0 CB A:THR1197 4.3 74.4 1.0 CG A:PHE1255 4.5 64.8 1.0 CB A:PRO1257 4.5 67.8 1.0 C9 A:8LS2202 4.6 66.4 1.0 CG A:PRO1257 4.7 65.4 1.0 O A:LEU1198 4.8 66.0 1.0 C5 A:8LS2202 4.8 72.2 1.0 CB A:VAL1256 4.8 65.6 1.0 CA A:THR1197 4.8 73.2 1.0 CD2 A:PHE1255 4.8 68.5 1.0 N A:PHE1255 4.9 61.4 1.0

M.Iwatani-Yoshihara, M.Ito, M.G.Klein, T.Yamamoto, K.Yonemori, T.Tanaka, M.Miwa, D.Morishita, S.Endo, R.Tjhen, L.Qin, A.Nakanishi, H.Maezaki, T.Kawamoto. Discovery of Allosteric Inhibitors Targeting the Spliceosomal Rna Helicase BRR2. J. Med. Chem. V. 60 5759 2017.
ISSN: ISSN 1520-4804
PubMed: 28586220
DOI: 10.1021/ACS.JMEDCHEM.7B00461