Chlorine in PDB 5is8: Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271

All present enzymatic activity of Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271:
2.1.1.319;

The structure of Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271, PDB code: 5is8 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)	17.99 / 2.71
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.544, 98.623, 207.467, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271 (pdb code 5is8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271, PDB code: 5is8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:71.4 occ:1.00 CL1 A:6D1601 0.0 71.4 1.0 C5 A:6D1601 1.8 65.9 1.0 H12 A:6D1601 2.3 79.1 1.0 H13 A:6D1601 2.3 79.1 1.0 C4 A:6D1601 2.8 58.9 1.0 H10 A:6D1601 2.9 70.7 1.0 H11 A:6D1601 2.9 70.7 1.0 O A:MET260 3.5 34.7 1.0 OE2 A:GLU258 3.8 45.7 1.0 OE1 A:GLU258 3.9 44.9 1.0 OH A:TYR154 4.0 48.9 1.0 HE1 A:TRP416 4.1 45.1 1.0 N2 A:6D1601 4.1 51.6 1.0 HZ2 A:TRP416 4.2 45.9 1.0 CD A:GLU258 4.3 44.7 1.0 SD A:MET163 4.3 51.5 1.0 HE1 A:TYR154 4.3 56.5 1.0 H15 A:6D1601 4.3 57.7 1.0 O A:GLU258 4.3 37.2 1.0 H14 A:6D1601 4.4 57.7 1.0 HH A:TYR154 4.4 58.7 1.0 OE1 A:GLU267 4.5 54.2 1.0 C6 A:6D1601 4.6 48.1 1.0 HA2 A:GLY261 4.6 37.8 1.0 C A:MET260 4.6 32.6 1.0 CZ A:TYR154 4.8 46.9 1.0 NE1 A:TRP416 4.8 37.6 1.0 CE1 A:TYR154 4.8 47.1 1.0 CZ2 A:TRP416 4.9 38.3 1.0 NE2 A:HIS415 4.9 50.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:66.3 occ:1.00 CL1 B:6D1601 0.0 66.3 1.0 C5 B:6D1601 1.8 58.7 1.0 H12 B:6D1601 2.3 70.4 1.0 H13 B:6D1601 2.3 70.4 1.0 C4 B:6D1601 2.7 51.4 1.0 H11 B:6D1601 2.7 61.7 1.0 H10 B:6D1601 2.9 61.7 1.0 O B:MET260 3.6 43.1 1.0 OH B:TYR154 3.7 49.3 1.0 OE1 B:GLU267 3.8 59.7 1.0 OE2 B:GLU267 3.8 59.5 1.0 OE1 B:GLU258 3.9 47.5 1.0 HH B:TYR154 3.9 59.2 1.0 N2 B:6D1601 4.1 45.0 1.0 CD B:GLU267 4.2 59.6 1.0 H14 B:6D1601 4.3 51.4 1.0 HE1 B:TRP416 4.3 44.6 1.0 SD B:MET163 4.3 47.3 1.0 CZ B:TYR154 4.4 47.4 1.0 HE1 B:TYR154 4.4 54.5 1.0 O B:GLU258 4.5 42.2 1.0 HA2 B:GLY261 4.5 47.2 1.0 HZ2 B:TRP416 4.5 41.8 1.0 C6 B:6D1601 4.6 42.8 1.0 OE2 B:GLU258 4.6 47.1 1.0 H15 B:6D1601 4.6 51.4 1.0 CD B:GLU258 4.6 46.5 1.0 O B:HOH710 4.7 36.8 1.0 CE1 B:TYR154 4.7 45.5 1.0 NE2 B:HIS415 4.7 45.9 1.0 C B:MET260 4.7 39.8 1.0 H8 B:6D1601 4.7 52.4 1.0 NE1 B:TRP416 5.0 37.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mouse CARM1 in Complex with Inhibitor SA0271 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:79.4 occ:1.00 CL1 C:6D1601 0.0 79.4 1.0 C5 C:6D1601 1.8 75.9 1.0 H12 C:6D1601 2.3 91.1 1.0 H13 C:6D1601 2.3 91.1 1.0 H10 C:6D1601 2.7 86.9 1.0 C4 C:6D1601 2.8 72.4 1.0 OE2 C:GLU258 3.0 67.2 1.0 H11 C:6D1601 3.1 86.9 1.0 O C:MET260 3.4 52.9 1.0 OH C:TYR154 3.8 70.2 1.0 CD C:GLU258 3.8 68.0 1.0 OE1 C:GLU258 3.9 67.3 1.0 O C:GLU258 4.0 68.9 1.0 N2 C:6D1601 4.1 69.7 1.0 HH C:TYR154 4.1 84.3 1.0 HZ2 C:TRP416 4.1 73.3 1.0 HE1 C:TRP416 4.1 69.7 1.0 OE1 C:GLU267 4.2 68.2 1.0 H15 C:6D1601 4.3 83.3 1.0 SD C:MET163 4.3 69.4 1.0 HE1 C:TYR154 4.4 84.1 1.0 CZ C:TYR154 4.5 70.7 1.0 C C:MET260 4.6 54.4 1.0 C6 C:6D1601 4.7 69.5 1.0 HA2 C:GLY261 4.7 64.5 1.0 CE1 C:TYR154 4.8 70.1 1.0 NE1 C:TRP416 4.8 58.1 1.0 HA C:PRO259 4.9 76.1 1.0 H14 C:6D1601 4.9 83.3 1.0 CZ2 C:TRP416 4.9 61.1 1.0 H C:MET260 4.9 71.8 1.0 OE2 C:GLU267 4.9 68.6 1.0 CD C:GLU267 5.0 67.6 1.0 N C:MET260 5.0 59.8 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 SA0271 To Be Published.