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Chlorine in PDB 6mb0: Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002

Enzymatic activity of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002

All present enzymatic activity of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002, PDB code: 6mb0 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 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.440, 121.190, 178.250, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 17.8

Other elements in 6mb0:

The structure of Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002 (pdb code 6mb0). 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 in Complex with Inhibitor Imp-1002, PDB code: 6mb0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6mb0

Go back to Chlorine Binding Sites List in 6mb0
Chlorine binding site 1 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002


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 in Complex with Inhibitor Imp-1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:10.6
occ:1.00
 O A:HOH695 3.1 12.3 1.0
NH2 A:ARG358 3.2 10.1 1.0
N A:LEU248 3.2 9.1 1.0
O A:HOH880 3.2 12.6 1.0
CA A:THR247 3.6 9.7 1.0
O A:HOH969 3.8 12.7 1.0
C A:THR247 3.9 10.1 1.0
CG2 A:THR247 4.0 10.7 1.0
CG A:LEU248 4.0 8.2 1.0
CB A:LEU248 4.1 9.9 1.0
O A:ASP246 4.1 10.0 1.0
CZ A:ARG358 4.2 10.7 1.0
CD1 A:LEU248 4.2 14.0 1.0
CA A:LEU248 4.2 8.7 1.0
NH1 A:ARG358 4.3 8.7 1.0
CB A:THR247 4.3 10.3 1.0
N A:THR247 4.7 9.7 1.0
OG1 A:THR247 4.7 10.7 1.0
C A:ASP246 4.8 10.1 1.0
O A:LEU248 5.0 11.5 1.0

Chlorine binding site 2 out of 3 in 6mb0

Go back to Chlorine Binding Sites List in 6mb0
Chlorine binding site 2 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002


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 in Complex with Inhibitor Imp-1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:9.5
occ:1.00
 O B:HOH673 3.1 13.4 1.0
N B:LEU248 3.2 8.8 1.0
NH2 B:ARG358 3.2 11.4 1.0
O B:HOH860 3.2 12.4 1.0
CA B:THR247 3.6 9.7 1.0
O B:HOH939 3.8 13.0 1.0
C B:THR247 3.9 9.4 1.0
CG2 B:THR247 4.0 12.9 1.0
CB B:LEU248 4.1 7.7 1.0
O B:ASP246 4.1 10.8 1.0
CG B:LEU248 4.1 9.2 1.0
CZ B:ARG358 4.2 9.9 1.0
CD1 B:LEU248 4.2 10.6 1.0
CA B:LEU248 4.2 8.3 1.0
NH1 B:ARG358 4.3 9.7 1.0
CB B:THR247 4.3 11.0 1.0
OG1 B:THR247 4.6 11.9 1.0
N B:THR247 4.7 9.5 1.0
C B:ASP246 4.8 9.6 1.0
O B:LEU248 5.0 12.6 1.0

Chlorine binding site 3 out of 3 in 6mb0

Go back to Chlorine Binding Sites List in 6mb0
Chlorine binding site 3 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) G386E Mutant From Plasmodium Vivax in Complex with Inhibitor Imp-1002


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 in Complex with Inhibitor Imp-1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:9.6
occ:1.00
 O C:HOH682 3.1 13.9 1.0
NH2 C:ARG358 3.2 10.9 1.0
N C:LEU248 3.3 9.0 1.0
O C:HOH819 3.3 13.0 1.0
CA C:THR247 3.7 10.9 1.0
O C:HOH966 3.8 13.0 1.0
C C:THR247 4.0 9.7 1.0
CG2 C:THR247 4.0 10.3 1.0
O C:ASP246 4.1 10.0 1.0
CB C:LEU248 4.1 9.0 1.0
CG C:LEU248 4.1 8.3 1.0
CZ C:ARG358 4.2 11.9 1.0
CD1 C:LEU248 4.2 10.8 1.0
NH1 C:ARG358 4.3 11.5 1.0
CA C:LEU248 4.3 8.7 1.0
CB C:THR247 4.4 10.0 1.0
N C:THR247 4.7 12.1 1.0
OG1 C:THR247 4.7 10.4 1.0
C C:ASP246 4.8 11.7 1.0
O C:LEU248 5.0 11.4 1.0

Reference:

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
Page generated: Sun Jul 28 03:08:05 2024

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