Chlorine in PDB 6may: Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax

All present enzymatic activity of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax:
2.3.1.97;

The structure of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax, PDB code: 6may was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.810, 120.810, 179.060, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax (pdb code 6may). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax, PDB code: 6may:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:16.9 occ:0.87 O A:HOH670 3.0 21.0 1.0 N A:LEU248 3.2 20.6 1.0 NH2 A:ARG358 3.3 18.4 1.0 O A:HOH911 3.4 23.5 1.0 CA A:THR247 3.6 17.2 1.0 O A:HOH870 3.8 21.5 1.0 C A:THR247 4.0 24.2 1.0 CG A:LEU248 4.0 18.2 1.0 O A:ASP246 4.1 26.1 1.0 CB A:LEU248 4.1 16.3 1.0 CD1 A:LEU248 4.1 18.9 1.0 CG2 A:THR247 4.2 18.1 1.0 CZ A:ARG358 4.2 22.1 1.0 NH1 A:ARG358 4.2 19.9 1.0 CA A:LEU248 4.3 16.9 1.0 CB A:THR247 4.4 18.1 1.0 OG1 A:THR247 4.6 23.7 1.0 N A:THR247 4.6 17.0 1.0 C A:ASP246 4.7 22.3 1.0 O A:LEU248 5.0 19.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:24.6 occ:1.00 N B:LEU248 3.2 26.1 1.0 NH2 B:ARG358 3.2 22.8 1.0 O B:HOH614 3.2 26.7 1.0 O B:HOH799 3.4 32.4 1.0 CA B:THR247 3.6 28.3 1.0 O B:HOH794 3.8 21.7 1.0 C B:THR247 3.9 30.2 1.0 CG2 B:THR247 3.9 24.2 1.0 CD1 B:LEU248 4.0 20.5 1.0 CB B:LEU248 4.0 20.9 1.0 O B:ASP246 4.1 28.9 1.0 CG B:LEU248 4.1 25.2 1.0 CZ B:ARG358 4.2 29.8 1.0 CA B:LEU248 4.2 22.7 1.0 CB B:THR247 4.3 26.1 1.0 NH1 B:ARG358 4.3 21.4 1.0 N B:THR247 4.6 26.3 1.0 OG1 B:THR247 4.7 25.8 1.0 C B:ASP246 4.7 27.7 1.0 O B:LEU248 4.9 23.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:20.7 occ:1.00 NH2 C:ARG358 3.1 18.1 1.0 N C:LEU248 3.2 17.6 1.0 O C:HOH874 3.3 16.1 1.0 CA C:THR247 3.6 15.8 1.0 CB C:LEU248 3.9 15.2 1.0 C C:THR247 3.9 17.2 1.0 CG C:LEU248 3.9 14.7 1.0 O C:HOH905 4.0 18.1 1.0 CG2 C:THR247 4.1 18.8 1.0 CZ C:ARG358 4.1 17.5 1.0 O C:ASP246 4.1 19.1 1.0 CA C:LEU248 4.1 20.3 1.0 NH1 C:ARG358 4.1 15.1 1.0 CD1 C:LEU248 4.2 15.0 1.0 CB C:THR247 4.4 23.1 1.0 OG1 C:THR247 4.7 26.1 1.0 N C:THR247 4.7 16.3 1.0 C C:ASP246 4.8 19.8 1.0 O C:LEU248 4.9 22.6 1.0

A.C.Schlott, S.Mayclin, A.R.Reers, O.Coburn-Flynn, A.S.Bell, J.Green, E.Knuepfer, D.Charter, R.Bonnert, B.Campo, J.Burrows, S.Lyons-Abbott, B.L.Staker, C.W.Chung, P.J.Myler, D.A.Fidock, E.W.Tate, A.A.Holder. Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors. Cell Chem Biol V. 26 991 2019.
ISSN: ESSN 2451-9456
PubMed: 31080074
DOI: 10.1016/J.CHEMBIOL.2019.03.015