Chlorine in PDB 6qrm: HSNMT1 in Complex with Both Myrcoa and Gncfskrraa Substrates

All present enzymatic activity of HSNMT1 in Complex with Both Myrcoa and Gncfskrraa Substrates:
2.3.1.97;

The structure of HSNMT1 in Complex with Both Myrcoa and Gncfskrraa Substrates, PDB code: 6qrm was solved by C.Dian, F.B.Riviere, T.Asensio, C.Giglione, T.Meinnel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.91 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.437, 178.931, 58.412, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.3

The binding sites of Chlorine atom in the HSNMT1 in Complex with Both Myrcoa and Gncfskrraa Substrates (pdb code 6qrm). 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 Gncfskrraa Substrates, PDB code: 6qrm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the HSNMT1 in Complex with Both Myrcoa and Gncfskrraa Substrates


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 Gncfskrraa Substrates within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:37.9 occ:1.00 CZ3 A:TRP206 3.0 26.3 1.0 NE A:ARG202 3.1 31.9 1.0 NH2 A:ARG202 3.2 29.7 1.0 CH2 A:TRP206 3.3 28.5 1.0 N A:LEU163 3.3 30.2 1.0 ND1 A:HIS211 3.5 22.9 1.0 CZ A:ARG202 3.6 32.9 1.0 CE1 A:HIS211 3.6 22.6 1.0 O A:LEU161 3.8 27.1 1.0 CE3 A:TRP206 3.8 21.7 1.0 CA A:ASP162 4.0 32.8 1.0 CB A:LEU163 4.0 26.5 1.0 OD2 A:ASP162 4.1 32.0 1.0 C A:ASP162 4.1 31.7 1.0 CA A:LEU163 4.2 32.0 1.0 CG A:LEU163 4.2 28.5 1.0 CZ2 A:TRP206 4.3 25.5 1.0 CD A:ARG202 4.3 28.5 1.0 N A:GLY164 4.4 31.7 1.0 CG A:ARG202 4.5 25.7 1.0 C A:LEU163 4.7 31.2 1.0 C A:LEU161 4.7 28.2 1.0 CD2 A:TRP206 4.7 21.4 1.0 CA A:PRO208 4.8 24.4 1.0 CG A:HIS211 4.8 23.0 1.0 N A:ASP162 4.9 32.7 1.0 CD1 A:LEU163 4.9 23.0 1.0 CE2 A:TRP206 4.9 22.5 1.0 NH1 A:ARG202 4.9 35.7 1.0 CB A:ASP162 4.9 30.0 1.0 CG A:ASP162 4.9 33.4 1.0 NE2 A:HIS211 4.9 24.2 1.0 CB A:PRO208 5.0 23.2 1.0

Chlorine binding site 2 out of 2 in the HSNMT1 in Complex with Both Myrcoa and Gncfskrraa Substrates


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 Gncfskrraa Substrates within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:35.5 occ:1.00 NH2 B:ARG202 3.0 25.3 1.0 NE B:ARG202 3.1 25.7 1.0 CZ3 B:TRP206 3.1 25.4 1.0 ND1 B:HIS211 3.2 16.7 1.0 N B:LEU163 3.3 25.7 1.0 CE1 B:HIS211 3.4 19.3 1.0 CZ B:ARG202 3.5 28.0 1.0 CH2 B:TRP206 3.6 29.6 1.0 CE3 B:TRP206 3.7 22.4 1.0 O B:LEU161 3.9 20.7 1.0 CG B:LEU163 4.0 22.7 1.0 CB B:LEU163 4.0 24.7 1.0 CA B:ASP162 4.0 23.7 1.0 C B:ASP162 4.1 27.1 1.0 CA B:LEU163 4.2 28.2 1.0 OD2 B:ASP162 4.3 31.2 1.0 CD B:ARG202 4.3 24.4 1.0 CB B:PRO208 4.4 19.3 1.0 CG B:ARG202 4.4 22.2 1.0 CA B:PRO208 4.4 18.1 1.0 N B:GLY164 4.5 27.4 1.0 CZ2 B:TRP206 4.5 25.3 1.0 CG B:HIS211 4.5 17.7 1.0 CD1 B:LEU163 4.6 21.9 1.0 CD2 B:TRP206 4.6 21.9 1.0 NE2 B:HIS211 4.7 18.8 1.0 CG B:ASP162 4.7 35.6 1.0 C B:LEU163 4.8 28.5 1.0 C B:LEU161 4.8 22.6 1.0 NH1 B:ARG202 4.8 24.8 1.0 N B:ASP162 4.9 23.4 1.0 CB B:ASP162 4.9 30.2 1.0 CE2 B:TRP206 5.0 22.4 1.0 N B:PRO208 5.0 20.0 1.0

C.Dian, I.Perez-Dorado, F.Riviere, T.Asensio, P.Legrand, M.Ritzefeld, M.Shen, E.Cota, T.Meinnel, E.W.Tate, C.Giglione. High-Resolution Snapshots of Human N-Myristoyltransferase in Action Illuminate A Mechanism Promoting N-Terminal Lys and Gly Myristoylation. Nat Commun V. 11 1132 2020.
ISSN: ESSN 2041-1723
PubMed: 32111831
DOI: 10.1038/S41467-020-14847-3