Chlorine in PDB 8q24: HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide

All present enzymatic activity of HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide:
2.3.1.97;

The structure of HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide, PDB code: 8q24 was solved by C.Dian, C.Giglione, T.Meinnel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.739, 177.986, 58.266, 90, 90, 90
R / Rfree (%)	17.2 / 21.5

The binding sites of Chlorine atom in the HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide (pdb code 8q24). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide, PDB code: 8q24:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:49.5 occ:1.00 NH2 A:ARG202 2.9 45.7 1.0 ND1 A:HIS211 3.0 28.3 1.0 N A:LEU163 3.2 30.6 1.0 NE A:ARG202 3.2 37.8 1.0 CZ3 A:TRP206 3.2 37.6 1.0 CE1 A:HIS211 3.3 27.9 1.0 CZ A:ARG202 3.5 40.8 1.0 O A:LEU161 3.5 29.3 1.0 CG A:LEU163 3.7 32.8 1.0 CE3 A:TRP206 3.8 32.4 1.0 CH2 A:TRP206 3.8 39.1 1.0 CB A:LEU163 3.8 33.8 1.0 CA A:ASP162 3.9 31.5 1.0 C A:ASP162 4.0 30.4 1.0 CA A:LEU163 4.1 34.9 1.0 OD2 A:ASP162 4.2 38.6 1.0 CG A:HIS211 4.3 27.8 1.0 CD A:ARG202 4.4 33.4 1.0 CD1 A:LEU163 4.5 36.8 1.0 CA A:PRO208 4.5 25.9 1.0 C A:LEU161 4.5 34.0 1.0 N A:GLY164 4.6 36.9 1.0 CG A:ARG202 4.6 29.1 1.0 NE2 A:HIS211 4.6 26.8 1.0 N A:ASP162 4.7 31.6 1.0 CB A:PRO208 4.7 30.1 1.0 CD2 A:TRP206 4.8 31.1 1.0 CZ2 A:TRP206 4.8 35.5 1.0 C A:LEU163 4.8 35.9 1.0 NH1 A:ARG202 4.8 41.1 1.0 CD2 A:LEU163 4.8 33.0 1.0 CB A:HIS211 5.0 24.6 1.0 CB A:ASP162 5.0 33.1 1.0

Chlorine binding site 2 out of 2 in the HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HSNMT1 in Complex with Both Myrcoa and (Dab)Sfskpr Inhibitor Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:49.6 occ:1.00 O A:HOH750 3.0 28.4 1.0 N A:ASP237 3.1 29.7 1.0 OG1 A:THR238 3.3 35.4 1.0 CB A:ASP237 3.6 43.1 1.0 CA A:ASP237 3.6 35.2 1.0 CB A:HIS135 3.6 33.7 1.0 CD2 A:HIS135 3.7 40.5 1.0 CB A:TYR236 3.7 31.1 1.0 CG A:HIS135 3.8 40.8 1.0 N A:THR238 3.8 31.4 1.0 C A:ASP237 3.8 36.4 1.0 OD1 A:ASP237 4.0 62.1 1.0 O A:ILE235 4.0 27.0 1.0 CB A:THR238 4.2 34.9 1.0 C A:TYR236 4.2 35.9 1.0 CG A:ASP237 4.2 53.2 1.0 O A:HOH663 4.3 45.0 1.0 O A:ASP237 4.5 38.9 1.0 CA A:TYR236 4.5 31.4 1.0 CA A:THR238 4.6 33.6 1.0 NE2 A:HIS135 4.6 40.9 1.0 ND1 A:HIS135 4.7 42.2 1.0 CG A:TYR236 4.9 29.5 1.0 C A:ILE235 5.0 26.9 1.0

C.Dian, C.Giglione, T.Meinnel, F.Riviere, F.R.Dutheil, P.Monassa. HSNMT1 in Complex with Both Myrcoa and Dab-Sfskpr Inhibitor Peptide To Be Published.