Chlorine in PDB 5o9t: HSNMT1 in Complex with Coa and Acetylated-Ncfskpk Peptide

All present enzymatic activity of HSNMT1 in Complex with Coa and Acetylated-Ncfskpk Peptide:
2.3.1.97;

The structure of HSNMT1 in Complex with Coa and Acetylated-Ncfskpk Peptide, PDB code: 5o9t 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)	47.75 / 2.15
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.221, 79.641, 178.991, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 21.6

The binding sites of Chlorine atom in the HSNMT1 in Complex with Coa and Acetylated-Ncfskpk Peptide (pdb code 5o9t). 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 Acetylated-Ncfskpk Peptide, PDB code: 5o9t:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the HSNMT1 in Complex with Coa and Acetylated-Ncfskpk 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 Coa and Acetylated-Ncfskpk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:42.9 occ:1.00 N A:LEU163 3.1 32.1 1.0 CZ3 A:TRP206 3.1 23.7 1.0 NH2 A:ARG202 3.2 34.2 1.0 ND1 A:HIS211 3.2 22.6 1.0 NE A:ARG202 3.3 35.5 1.0 CE1 A:HIS211 3.4 22.3 1.0 CH2 A:TRP206 3.6 29.3 1.0 O A:LEU161 3.6 26.6 1.0 CZ A:ARG202 3.7 33.3 1.0 CA A:ASP162 3.8 36.9 1.0 CB A:LEU163 3.9 27.3 1.0 C A:ASP162 3.9 33.8 1.0 CE3 A:TRP206 3.9 21.2 1.0 CA A:LEU163 4.0 31.4 1.0 CG A:LEU163 4.0 29.0 1.0 OD1 A:ASP162 4.1 33.9 1.0 N A:GLY164 4.3 31.7 1.0 CD A:ARG202 4.5 28.0 1.0 C A:LEU161 4.5 31.6 1.0 CG A:HIS211 4.6 22.2 1.0 CG A:ARG202 4.6 23.5 1.0 C A:LEU163 4.6 31.0 1.0 CZ2 A:TRP206 4.6 29.4 1.0 CD1 A:LEU163 4.6 27.7 1.0 N A:ASP162 4.7 29.5 1.0 CA A:PRO208 4.7 25.5 1.0 NE2 A:HIS211 4.8 23.5 1.0 CB A:PRO208 4.8 25.6 1.0 CB A:ASP162 4.8 32.8 1.0 CD2 A:TRP206 4.9 16.5 1.0 CG A:ASP162 4.9 39.0 1.0 O A:HOH606 5.0 41.7 1.0

Chlorine binding site 2 out of 2 in the HSNMT1 in Complex with Coa and Acetylated-Ncfskpk 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 Coa and Acetylated-Ncfskpk Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:36.2 occ:1.00 CZ3 B:TRP206 3.0 30.1 1.0 NH2 B:ARG202 3.0 28.5 1.0 NE B:ARG202 3.1 28.1 1.0 ND1 B:HIS211 3.2 20.5 1.0 CE1 B:HIS211 3.3 19.6 1.0 N B:LEU163 3.3 23.9 1.0 CZ B:ARG202 3.5 31.9 1.0 CH2 B:TRP206 3.5 34.9 1.0 CE3 B:TRP206 3.7 25.3 1.0 OD2 B:ASP162 3.8 35.4 1.0 O B:LEU161 3.8 22.4 1.0 CA B:ASP162 3.9 22.5 1.0 CG B:LEU163 4.0 27.2 1.0 C B:ASP162 4.0 21.1 1.0 CB B:LEU163 4.1 24.7 1.0 CA B:LEU163 4.2 29.0 1.0 CD B:ARG202 4.3 25.5 1.0 CA B:PRO208 4.4 16.7 1.0 CG B:ARG202 4.5 25.0 1.0 CB B:PRO208 4.5 21.8 1.0 CG B:HIS211 4.5 22.3 1.0 CZ2 B:TRP206 4.5 27.9 1.0 N B:GLY164 4.5 26.6 1.0 NE2 B:HIS211 4.6 18.8 1.0 CD2 B:TRP206 4.7 22.7 1.0 CG B:ASP162 4.7 39.9 1.0 CD1 B:LEU163 4.7 25.9 1.0 C B:LEU161 4.7 25.5 1.0 CB B:ASP162 4.8 33.1 1.0 N B:ASP162 4.8 27.2 1.0 NH1 B:ARG202 4.8 31.3 1.0 C B:LEU163 4.8 29.7 1.0 CE2 B:TRP206 5.0 25.8 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