Chlorine in PDB 5o9s: HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk Octapeptide

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

The structure of HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk Octapeptide, PDB code: 5o9s 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)	48.62 / 2.70
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.022, 80.252, 178.147, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22.7

The binding sites of Chlorine atom in the HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk Octapeptide (pdb code 5o9s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk Octapeptide, PDB code: 5o9s:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk 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-Gksnsklk Octapeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:40.5 occ:1.00 N A:SER485 3.2 17.3 1.0 N A:VAL132 3.4 37.8 1.0 O A:VAL132 3.5 35.5 1.0 CA A:PRO484 3.5 15.6 1.0 NZ A:LYS289 3.6 34.6 1.0 O A:HOH664 3.8 24.0 1.0 C A:PRO484 3.9 14.3 1.0 CB A:PRO484 4.0 20.6 1.0 OG A:SER485 4.0 46.6 1.0 CA A:VAL132 4.2 36.7 1.0 CB A:SER485 4.2 10.3 1.0 CG1 A:VAL131 4.3 42.1 1.0 C A:VAL132 4.3 34.5 1.0 CB A:VAL132 4.3 35.2 1.0 CA A:VAL131 4.3 46.1 1.0 C A:VAL131 4.3 42.4 1.0 CA A:SER485 4.3 9.8 1.0 CE A:LYS289 4.6 28.9 1.0 CG2 A:VAL132 4.7 28.9 1.0 O A:CYS483 4.7 15.2 1.0 N A:PRO484 4.7 22.6 1.0 CB A:VAL131 4.8 46.5 1.0

Chlorine binding site 2 out of 3 in the HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk 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-Gksnsklk Octapeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:48.4 occ:1.00 N B:VAL132 3.4 58.7 1.0 NZ B:LYS289 3.4 53.4 1.0 CG1 B:VAL131 3.4 51.4 1.0 N B:SER485 3.6 16.4 1.0 OG B:SER485 3.7 29.5 1.0 O B:VAL132 3.8 44.2 1.0 CA B:VAL131 3.9 63.0 1.0 CA B:PRO484 4.0 23.8 1.0 C B:VAL131 4.1 59.2 1.0 CB B:VAL131 4.1 65.0 1.0 CA B:VAL132 4.3 56.1 1.0 CB B:SER485 4.3 19.5 1.0 C B:PRO484 4.3 20.3 1.0 C B:VAL132 4.4 49.9 1.0 CG2 B:VAL131 4.4 52.8 1.0 CB B:VAL132 4.5 43.6 1.0 CA B:SER485 4.6 20.8 1.0 CB B:PRO484 4.6 26.3 1.0 CG2 B:VAL132 4.7 36.2 1.0 CE B:LYS289 4.8 42.9 1.0 O B:CYS483 4.9 23.6 1.0

Chlorine binding site 3 out of 3 in the HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk Octapeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of HSNMT1 in Complex with Coa and Myristoylated-Gksnsklk Octapeptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:35.2 occ:1.00 N B:LEU163 3.2 20.8 1.0 NE B:ARG202 3.2 25.2 1.0 ND1 B:HIS211 3.2 18.1 1.0 CE1 B:HIS211 3.3 15.3 1.0 NH1 B:ARG202 3.3 17.7 1.0 NE1 B:TRP206 3.6 18.0 1.0 O B:LEU161 3.7 21.8 1.0 CZ B:ARG202 3.7 23.1 1.0 CA B:ASP162 3.8 24.1 1.0 OD2 B:ASP162 3.9 31.6 1.0 C B:ASP162 3.9 22.3 1.0 CB B:LEU163 4.0 17.6 1.0 CA B:LEU163 4.0 18.8 1.0 CG B:LEU163 4.2 23.5 1.0 N B:GLY164 4.3 24.6 1.0 CD B:ARG202 4.3 18.7 1.0 CD1 B:TRP206 4.3 17.1 1.0 CG B:ARG202 4.4 17.0 1.0 CE2 B:TRP206 4.5 17.3 1.0 CB B:PRO208 4.6 10.0 1.0 NE2 B:HIS211 4.6 13.7 1.0 CG B:HIS211 4.6 19.1 1.0 C B:LEU161 4.6 25.1 1.0 C B:LEU163 4.6 20.3 1.0 CA B:PRO208 4.7 11.4 1.0 N B:ASP162 4.7 25.5 1.0 CZ2 B:TRP206 4.8 10.6 1.0 CB B:ASP162 4.8 31.2 1.0 CG B:ASP162 4.8 29.2 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