Bromine in PDB 8g2i: Crystal Structure of PRMT4 with Compound YD1290

All present enzymatic activity of Crystal Structure of PRMT4 with Compound YD1290:
2.1.1.319;

The structure of Crystal Structure of PRMT4 with Compound YD1290, PDB code: 8g2i was solved by X.Song, A.Dong, Y.Deng, R.Huang, C.H.Arrowsmith, A.M.Edwards, J.Min, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.73 / 2.17
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.659, 86.659, 137.066, 90, 90, 120
R / Rfree (%)	20.1 / 22.5

The binding sites of Bromine atom in the Crystal Structure of PRMT4 with Compound YD1290 (pdb code 8g2i). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of PRMT4 with Compound YD1290, PDB code: 8g2i:

Bromine binding site 1 out of 1 in the Crystal Structure of PRMT4 with Compound YD1290


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 PRMT4 with Compound YD1290 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:118.0 occ:1.00 BR A:I0B501 0.0 118.0 1.0 C24 A:I0B501 1.9 63.7 1.0 C23 A:I0B501 2.8 56.2 1.0 C25 A:I0B501 2.9 74.9 1.0 CB A:HIS414 3.4 64.6 1.0 OD2 A:ASP165 3.4 54.0 1.0 CB A:ASP165 4.0 42.6 1.0 CD A:ARG168 4.0 34.8 1.0 CA A:HIS414 4.0 49.9 1.0 C22 A:I0B501 4.1 61.9 1.0 C26 A:I0B501 4.1 70.2 1.0 CG A:ASP165 4.2 46.2 1.0 C A:HIS414 4.2 48.8 1.0 N A:HIS414 4.2 39.8 1.0 CG A:MET162 4.3 48.2 1.0 CG A:HIS414 4.4 87.5 1.0 CA A:MET162 4.4 43.3 1.0 O A:MET162 4.5 42.4 1.0 NE A:ARG168 4.6 37.2 1.0 O A:HIS414 4.6 36.6 1.0 C27 A:I0B501 4.6 63.6 1.0 CB A:MET162 4.7 44.6 1.0 N A:TRP415 4.7 42.4 1.0 CE3 A:TRP415 4.7 36.9 1.0 CZ3 A:TRP415 4.8 35.6 1.0 CD2 A:TRP415 4.8 34.7 1.0 CH2 A:TRP415 4.9 34.7 1.0 CD2 A:HIS414 5.0 95.0 1.0 N9 A:I0B501 5.0 38.4 1.0 C A:MET162 5.0 46.5 1.0 CZ2 A:TRP415 5.0 41.6 1.0 CE2 A:TRP415 5.0 36.9 1.0

Y.Deng, X.Song, I.D.Iyamu, A.Dong, J.Min, R.Huang. A Unique Binding Pocket Induced By A Noncanonical Sah Mimic to Develop Potent and Selective Prmt Inhibitors. Acta Pharm Sin B V. 13 4893 2023.
ISSN: ISSN 2211-3835
PubMed: 38045046
DOI: 10.1016/J.APSB.2023.07.022