Atomistry » Fluorine » PDB 6ltk-6mh7 » 6mb0
Atomistry »
  Fluorine »
    PDB 6ltk-6mh7 »
      6mb0 »

Fluorine 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:

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 3 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6mb0

Go back to Fluorine Binding Sites List in 6mb0
Fluorine 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 Fluorine with other atoms in the F 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:F502

b:11.2
occ:1.00
 F19 A:JCY502 0.0 11.2 1.0
C18 A:JCY502 1.4 10.5 1.0
C17 A:JCY502 2.3 9.1 1.0
C20 A:JCY502 2.4 10.5 1.0
N A:ALA366 3.3 7.7 1.0
CB A:ASN365 3.3 10.3 1.0
CB A:TYR211 3.5 9.7 0.4
C A:ASN365 3.5 11.1 1.0
C A:ALA366 3.6 9.9 1.0
C16 A:JCY502 3.6 9.8 1.0
CB A:TYR211 3.6 9.7 0.6
C21 A:JCY502 3.6 9.5 1.0
CA A:ALA366 3.7 7.0 1.0
O A:ALA366 3.7 9.7 1.0
CD2 A:TYR334 3.7 10.6 1.0
CE2 A:TYR334 3.8 10.1 1.0
CD1 A:TYR211 3.8 10.1 0.6
O A:HOH713 3.9 17.0 1.0
CA A:ASN365 4.0 7.5 1.0
O A:ASN365 4.0 11.1 1.0
N A:LEU367 4.0 7.2 1.0
CG A:TYR211 4.1 9.9 0.6
C15 A:JCY502 4.1 10.3 1.0
CG A:LEU367 4.3 8.7 1.0
CG A:ASN365 4.4 12.9 1.0
CG A:TYR211 4.4 12.6 0.4
CD2 A:LEU367 4.4 11.3 1.0
O A:HOH856 4.5 20.4 1.0
CA A:TYR211 4.6 10.2 0.6
CA A:TYR211 4.6 9.9 0.4
O A:TYR212 4.6 9.8 1.0
O22 A:JCY502 4.8 9.3 1.0
CA A:LEU367 4.8 6.7 1.0
ND2 A:ASN365 4.8 15.0 1.0
CG A:TYR334 4.9 6.4 1.0
CE1 A:TYR211 4.9 13.1 0.6
N A:TYR212 4.9 8.8 1.0
CD2 A:TYR211 4.9 18.8 0.4
C23 A:JCY502 5.0 9.7 1.0
CZ A:TYR334 5.0 8.7 1.0

Fluorine binding site 2 out of 3 in 6mb0

Go back to Fluorine Binding Sites List in 6mb0
Fluorine 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 Fluorine with other atoms in the F 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:F503

b:11.5
occ:1.00
 F19 B:JCY503 0.0 11.5 1.0
C18 B:JCY503 1.4 11.4 1.0
C20 B:JCY503 2.4 9.3 1.0
C17 B:JCY503 2.4 11.5 1.0
N B:ALA366 3.2 8.5 1.0
CB B:ASN365 3.4 8.7 1.0
C B:ASN365 3.5 10.2 1.0
C B:ALA366 3.5 9.3 1.0
CB B:TYR211 3.5 10.3 0.4
C16 B:JCY503 3.6 10.3 1.0
O B:ALA366 3.6 8.7 1.0
C21 B:JCY503 3.6 10.3 1.0
CB B:TYR211 3.6 9.6 0.6
CA B:ALA366 3.7 6.7 1.0
CD2 B:TYR334 3.8 9.2 1.0
CE2 B:TYR334 3.9 11.3 1.0
O B:HOH680 3.9 17.9 1.0
CD2 B:TYR211 3.9 10.3 0.6
O B:ASN365 3.9 10.9 1.0
CA B:ASN365 4.0 6.9 1.0
N B:LEU367 4.0 6.3 1.0
C15 B:JCY503 4.1 11.5 1.0
CG B:TYR211 4.1 7.3 0.6
CG B:LEU367 4.3 6.8 1.0
CG B:ASN365 4.4 12.6 1.0
CG B:TYR211 4.4 11.9 0.4
CD2 B:LEU367 4.4 8.4 1.0
O B:HOH793 4.5 18.7 1.0
O B:TYR212 4.5 10.3 1.0
CA B:TYR211 4.6 7.2 0.6
CA B:TYR211 4.6 7.7 0.4
CA B:LEU367 4.7 7.2 1.0
O22 B:JCY503 4.8 11.2 1.0
ND2 B:ASN365 4.8 13.1 1.0
N B:TYR212 4.9 7.8 1.0
CG B:TYR334 4.9 6.6 1.0
C23 B:JCY503 5.0 9.8 1.0
CD2 B:TYR211 5.0 16.0 0.4
CE2 B:TYR211 5.0 12.1 0.6
CZ B:TYR334 5.0 10.5 1.0

Fluorine binding site 3 out of 3 in 6mb0

Go back to Fluorine Binding Sites List in 6mb0
Fluorine 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 Fluorine with other atoms in the F 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:F502

b:11.5
occ:1.00
 F19 C:JCY502 0.0 11.5 1.0
C18 C:JCY502 1.4 8.7 1.0
C17 C:JCY502 2.4 11.0 1.0
C20 C:JCY502 2.4 9.5 1.0
N C:ALA366 3.1 7.7 1.0
CB C:ASN365 3.3 12.1 1.0
C C:ASN365 3.4 9.6 1.0
C C:ALA366 3.5 9.7 1.0
CB C:TYR211 3.6 10.8 0.5
CA C:ALA366 3.6 7.4 1.0
O C:ALA366 3.6 10.3 1.0
C16 C:JCY502 3.6 11.0 1.0
CB C:TYR211 3.6 11.8 0.5
C21 C:JCY502 3.6 10.8 1.0
O C:HOH765 3.8 17.5 1.0
CA C:ASN365 3.8 8.3 1.0
O C:ASN365 3.9 10.3 1.0
CD2 C:TYR334 3.9 9.1 1.0
N C:LEU367 4.0 10.5 1.0
CE2 C:TYR334 4.0 13.6 1.0
C15 C:JCY502 4.1 10.8 1.0
CD1 C:TYR211 4.2 20.9 0.5
CG C:TYR211 4.3 16.6 0.5
CG C:LEU367 4.3 9.0 1.0
O C:TYR212 4.3 11.1 1.0
CG C:ASN365 4.3 15.9 1.0
CA C:TYR211 4.5 10.8 0.5
CA C:TYR211 4.5 10.8 0.5
CG C:TYR211 4.6 9.3 0.5
CD2 C:LEU367 4.6 9.1 1.0
O C:HOH700 4.6 18.6 1.0
N C:TYR212 4.7 10.6 1.0
CA C:LEU367 4.8 6.9 1.0
O22 C:JCY502 4.8 12.7 1.0
ND2 C:ASN365 4.9 20.0 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: Thu Aug 1 22:15:19 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy