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Chlorine in PDB 6mb1: Crystal Structure of N-Myristoyl Transferase (Nmt) From Plasmodium Vivax in Complex with Inhibitor Imp-1002

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

All present enzymatic activity of Crystal Structure of N-Myristoyl Transferase (Nmt) 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) From Plasmodium Vivax in Complex with Inhibitor Imp-1002, PDB code: 6mb1 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.560, 119.110, 176.080, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 18.3

Other elements in 6mb1:

The structure of Crystal Structure of N-Myristoyl Transferase (Nmt) 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) From Plasmodium Vivax in Complex with Inhibitor Imp-1002 (pdb code 6mb1). 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) From Plasmodium Vivax in Complex with Inhibitor Imp-1002, PDB code: 6mb1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6mb1

Go back to Chlorine Binding Sites List in 6mb1
Chlorine binding site 1 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) 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) From Plasmodium Vivax in Complex with Inhibitor Imp-1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:10.3
occ:1.00
 O A:HOH704 3.1 11.9 1.0
O A:HOH855 3.2 12.2 1.0
NH2 A:ARG358 3.2 9.4 1.0
N A:LEU248 3.3 9.2 1.0
CA A:THR247 3.7 10.3 1.0
O A:HOH1041 3.9 10.3 1.0
C A:THR247 4.0 9.7 1.0
CG2 A:THR247 4.1 11.3 1.0
CG A:LEU248 4.1 10.3 1.0
CB A:LEU248 4.1 11.5 1.0
CD1 A:LEU248 4.1 13.1 1.0
O A:ASP246 4.1 11.3 1.0
CZ A:ARG358 4.2 11.7 1.0
NH1 A:ARG358 4.3 12.2 1.0
CA A:LEU248 4.3 8.9 1.0
CB A:THR247 4.4 10.8 1.0
N A:THR247 4.7 11.2 1.0
OG1 A:THR247 4.7 12.5 1.0
C A:ASP246 4.8 12.0 1.0
O A:LEU248 4.9 10.8 1.0

Chlorine binding site 2 out of 3 in 6mb1

Go back to Chlorine Binding Sites List in 6mb1
Chlorine binding site 2 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) 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) From Plasmodium Vivax in Complex with Inhibitor Imp-1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:10.6
occ:1.00
 O B:HOH698 3.1 13.4 1.0
NH2 B:ARG358 3.3 11.9 1.0
O B:HOH792 3.3 12.3 1.0
N B:LEU248 3.3 9.6 1.0
CA B:THR247 3.6 10.8 1.0
O B:HOH925 3.8 16.2 1.0
C B:THR247 4.0 11.0 1.0
CG2 B:THR247 4.0 11.2 1.0
CB B:LEU248 4.1 10.7 1.0
O B:ASP246 4.1 12.2 1.0
CG B:LEU248 4.1 9.8 1.0
CD1 B:LEU248 4.2 11.3 1.0
CZ B:ARG358 4.2 12.0 1.0
NH1 B:ARG358 4.3 10.5 1.0
CA B:LEU248 4.3 9.5 1.0
CB B:THR247 4.3 13.7 1.0
OG1 B:THR247 4.6 12.5 1.0
N B:THR247 4.7 11.9 1.0
C B:ASP246 4.8 13.4 1.0
O B:LEU248 4.9 11.6 1.0

Chlorine binding site 3 out of 3 in 6mb1

Go back to Chlorine Binding Sites List in 6mb1
Chlorine binding site 3 out of 3 in the Crystal Structure of N-Myristoyl Transferase (Nmt) 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) From Plasmodium Vivax in Complex with Inhibitor Imp-1002 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:10.4
occ:1.00
 O C:HOH689 3.1 13.1 1.0
NH2 C:ARG358 3.2 10.2 1.0
O C:HOH814 3.3 11.2 1.0
N C:LEU248 3.3 10.2 1.0
CA C:THR247 3.6 9.2 1.0
O C:HOH876 3.8 15.2 1.0
CG2 C:THR247 3.8 9.8 1.0
C C:THR247 4.0 9.8 1.0
O C:ASP246 4.0 9.9 1.0
CB C:LEU248 4.1 9.3 1.0
CG C:LEU248 4.1 9.6 1.0
CZ C:ARG358 4.2 9.9 1.0
CB C:THR247 4.3 11.6 1.0
CD1 C:LEU248 4.3 11.3 1.0
CA C:LEU248 4.3 10.0 1.0
NH1 C:ARG358 4.3 11.8 1.0
N C:THR247 4.6 10.6 1.0
OG1 C:THR247 4.7 10.3 1.0
C C:ASP246 4.8 10.9 1.0
O C:LEU248 5.0 11.8 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 03:08:12 2024

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