Bromine in PDB 5isc: Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0491

All present enzymatic activity of Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0491:
2.1.1.319;

The structure of Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0491, PDB code: 5isc was solved by V.Cura, N.Marechal, J.Mailliot, N.Troffer-Charlier, P.Hassenboehler, J.M.Wurtz, L.Bonnefond, J.Cavarelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.123, 101.043, 211.349, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.9

The binding sites of Bromine atom in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0491 (pdb code 5isc). 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 Mouse CARM1 in Complex with Inhibitor SA0491, PDB code: 5isc:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0491


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 Mouse CARM1 in Complex with Inhibitor SA0491 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:0.5 occ:1.00 BR1 B:6D0501 0.0 0.5 1.0 C17 B:6D0501 2.0 98.6 1.0 H24 B:6D0501 2.5 0.3 1.0 H25 B:6D0501 2.5 0.3 1.0 C16 B:6D0501 2.9 94.3 1.0 O5 B:6D0501 3.0 95.2 1.0 HE3 B:MET163 3.1 68.4 1.0 HH B:TYR154 3.6 69.2 1.0 O B:MET260 3.8 47.9 1.0 HE1 B:MET163 3.8 68.4 1.0 HE1 B:TRP416 3.8 54.4 1.0 HZ2 B:TRP416 3.8 52.7 1.0 OE1 B:GLU258 3.8 54.2 1.0 CE B:MET163 3.9 57.0 1.0 NE2 B:HIS415 4.1 54.0 1.0 OH B:TYR154 4.2 57.6 1.0 HE2 B:MET163 4.3 68.4 1.0 C15 B:6D0501 4.3 89.0 1.0 NE1 B:TRP416 4.4 45.3 1.0 HA2 B:GLY261 4.4 57.9 1.0 CZ2 B:TRP416 4.4 43.9 1.0 H22 B:6D0501 4.4 0.8 1.0 CE2 B:TRP416 4.7 44.3 1.0 OE1 B:GLU267 4.7 66.2 1.0 H23 B:6D0501 4.7 0.8 1.0 OE2 B:GLU267 4.8 68.8 1.0 CD B:GLU258 4.9 52.3 1.0 H8 B:6D0501 4.9 99.6 1.0 HE1 B:HIS415 4.9 64.4 1.0 C B:MET260 4.9 47.8 1.0 CE1 B:HIS415 4.9 53.6 1.0 HE1 B:TYR154 5.0 67.5 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0491


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 Mouse CARM1 in Complex with Inhibitor SA0491 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br501 b:0.4 occ:1.00 BR1 D:6D0501 0.0 0.4 1.0 C17 D:6D0501 1.9 96.1 1.0 H24 D:6D0501 2.4 0.3 1.0 H25 D:6D0501 2.5 0.3 1.0 C16 D:6D0501 2.9 91.3 1.0 O5 D:6D0501 3.2 91.3 1.0 HH D:TYR154 3.6 65.2 1.0 O D:MET260 3.7 41.8 1.0 HE1 D:TRP416 3.9 53.9 1.0 OE1 D:GLU258 3.9 52.0 1.0 H22 D:6D0501 4.1 0.2 1.0 HZ2 D:TRP416 4.1 52.7 1.0 C15 D:6D0501 4.1 86.9 1.0 OH D:TYR154 4.2 54.3 1.0 HA2 D:GLY261 4.4 52.5 1.0 OE2 D:GLU267 4.5 67.3 1.0 OE1 D:GLU267 4.5 65.4 1.0 NE2 D:HIS415 4.5 57.0 1.0 NE1 D:TRP416 4.5 44.9 1.0 H23 D:6D0501 4.6 0.2 1.0 OE2 D:GLU258 4.7 49.5 1.0 CD D:GLU258 4.7 50.1 1.0 CZ2 D:TRP416 4.7 43.9 1.0 C D:MET260 4.8 42.5 1.0 HE1 D:TYR154 4.8 61.6 1.0 CD D:GLU267 4.9 66.0 1.0 CE2 D:TRP416 4.9 44.0 1.0

V.Cura, N.Marechal, J.Mailliot, N.Troffer-Charlier, J.M.Wurtz, L.Bonnefond, J.Cavarelli. Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0491 To Be Published.