Chlorine in PDB 5o9v: HSNMT1 in Complex with Coa and Myristoylated-Ggcfskpk Octapeptide

All present enzymatic activity of HSNMT1 in Complex with Coa and Myristoylated-Ggcfskpk Octapeptide:
2.3.1.97;

The structure of HSNMT1 in Complex with Coa and Myristoylated-Ggcfskpk Octapeptide, PDB code: 5o9v was solved by C.Dian, T.Meinnel, C.Giglione, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.69 / 2.20
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.130, 79.010, 178.255, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.6

The binding sites of Chlorine atom in the HSNMT1 in Complex with Coa and Myristoylated-Ggcfskpk Octapeptide (pdb code 5o9v). 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 Coa and Myristoylated-Ggcfskpk Octapeptide, PDB code: 5o9v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the HSNMT1 in Complex with Coa and Myristoylated-Ggcfskpk Octapeptide


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 Coa and Myristoylated-Ggcfskpk Octapeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:44.6 occ:1.00 N A:LEU163 3.0 24.7 1.0 NE A:ARG202 3.1 34.9 1.0 NH2 A:ARG202 3.1 27.1 1.0 ND1 A:HIS211 3.2 19.9 1.0 CZ3 A:TRP206 3.2 23.4 1.0 CE1 A:HIS211 3.4 20.9 1.0 CZ A:ARG202 3.5 30.0 1.0 CH2 A:TRP206 3.6 26.2 1.0 O A:LEU161 3.6 22.9 1.0 CB A:LEU163 3.7 26.0 1.0 CG A:LEU163 3.8 29.3 1.0 CA A:LEU163 3.8 33.1 1.0 CA A:ASP162 3.9 31.4 1.0 C A:ASP162 3.9 31.8 1.0 CE3 A:TRP206 3.9 21.6 1.0 OD1 A:ASP162 4.1 24.5 1.0 N A:GLY164 4.2 30.4 1.0 CD A:ARG202 4.3 28.2 1.0 CG A:ARG202 4.4 21.6 1.0 C A:LEU163 4.4 28.2 1.0 CD1 A:LEU163 4.5 22.8 1.0 CG A:HIS211 4.5 19.1 1.0 C A:LEU161 4.6 24.8 1.0 CZ2 A:TRP206 4.6 23.2 1.0 NE2 A:HIS211 4.7 19.5 1.0 CA A:PRO208 4.7 24.1 1.0 N A:ASP162 4.7 27.3 1.0 NH1 A:ARG202 4.8 28.7 1.0 CD2 A:TRP206 4.9 17.8 1.0 CB A:PRO208 4.9 21.7 1.0 CG A:ASP162 5.0 36.8 1.0 CB A:ASP162 5.0 27.6 1.0

Chlorine binding site 2 out of 2 in the HSNMT1 in Complex with Coa and Myristoylated-Ggcfskpk Octapeptide


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 Coa and Myristoylated-Ggcfskpk Octapeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:36.6 occ:1.00 NH2 B:ARG202 3.0 29.6 1.0 NE B:ARG202 3.1 28.8 1.0 N B:LEU163 3.1 24.9 1.0 ND1 B:HIS211 3.2 15.3 1.0 CZ3 B:TRP206 3.2 27.6 1.0 CE1 B:HIS211 3.3 17.6 1.0 CZ B:ARG202 3.5 33.4 1.0 CH2 B:TRP206 3.7 32.7 1.0 O B:LEU161 3.7 21.5 1.0 CG B:LEU163 3.8 24.3 1.0 CE3 B:TRP206 3.8 21.5 1.0 CA B:ASP162 3.8 23.9 1.0 CB B:LEU163 3.8 28.9 1.0 OD1 B:ASP162 3.9 34.8 1.0 C B:ASP162 3.9 22.9 1.0 CA B:LEU163 4.0 28.4 1.0 CD B:ARG202 4.3 22.8 1.0 N B:GLY164 4.3 33.9 1.0 CG B:ARG202 4.4 21.9 1.0 CD1 B:LEU163 4.5 24.7 1.0 CG B:HIS211 4.5 17.1 1.0 CA B:PRO208 4.5 13.4 1.0 CB B:PRO208 4.6 21.6 1.0 C B:LEU161 4.6 22.8 1.0 C B:LEU163 4.6 32.0 1.0 CZ2 B:TRP206 4.6 29.0 1.0 NE2 B:HIS211 4.6 14.6 1.0 N B:ASP162 4.7 23.0 1.0 CD2 B:TRP206 4.8 22.0 1.0 CG B:ASP162 4.8 38.0 1.0 NH1 B:ARG202 4.8 26.9 1.0 CB B:ASP162 4.8 26.2 1.0 CD2 B:LEU163 4.9 19.2 1.0

B.Castrec, C.Dian, S.Ciccone, C.L.Ebert, W.V.Bienvenut, J.P.Le Caer, J.M.Steyaert, C.Giglione, T.Meinnel. Structural and Genomic Decoding of Human and Plant Myristoylomes Reveals A Definitive Recognition Pattern. Nat. Chem. Biol. V. 14 671 2018.
ISSN: ESSN 1552-4469
PubMed: 29892081
DOI: 10.1038/S41589-018-0077-5