Atomistry » Fluorine » PDB 6lub-6mii » 6mb1
Atomistry »
  Fluorine »
    PDB 6lub-6mii »
      6mb1 »

Fluorine 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:

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

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

Fluorine binding site 1 out of 3 in 6mb1

Go back to Fluorine Binding Sites List in 6mb1
Fluorine 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 Fluorine with other atoms in the F 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:F502

b:14.2
occ:1.00
 F19 A:JCY502 0.0 14.2 1.0
C18 A:JCY502 1.4 10.1 1.0
C17 A:JCY502 2.3 10.0 1.0
C20 A:JCY502 2.4 12.0 1.0
N A:ALA366 3.2 8.6 1.0
CB A:ASN365 3.3 7.9 1.0
C A:ASN365 3.4 11.8 1.0
C A:ALA366 3.5 6.2 1.0
CB A:TYR211 3.6 11.6 1.0
C16 A:JCY502 3.6 8.0 1.0
CA A:ALA366 3.6 7.8 1.0
C21 A:JCY502 3.6 11.8 1.0
O A:ALA366 3.6 9.0 1.0
CA A:ASN365 3.8 7.4 1.0
O A:ASN365 3.9 10.8 1.0
CD2 A:TYR334 3.9 9.0 1.0
CE2 A:TYR334 3.9 7.0 1.0
O A:HOH654 4.0 14.5 1.0
N A:LEU367 4.0 7.9 1.0
C15 A:JCY502 4.1 11.8 1.0
O A:TYR212 4.3 10.9 1.0
CG A:ASN365 4.3 10.8 1.0
CG A:LEU367 4.4 7.3 1.0
CA A:TYR211 4.5 9.8 1.0
CG A:TYR211 4.6 9.4 1.0
CD2 A:LEU367 4.6 9.1 1.0
O A:HOH665 4.6 18.3 1.0
ND2 A:ASN365 4.7 17.0 1.0
N A:TYR212 4.7 8.2 1.0
O22 A:JCY502 4.8 11.5 1.0
CA A:LEU367 4.8 8.0 1.0
CG A:TYR334 5.0 8.7 1.0
CZ A:TYR334 5.0 8.2 1.0
C23 A:JCY502 5.0 11.4 1.0

Fluorine binding site 2 out of 3 in 6mb1

Go back to Fluorine Binding Sites List in 6mb1
Fluorine 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 Fluorine with other atoms in the F 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:F502

b:13.7
occ:1.00
 F19 B:JCY502 0.0 13.7 1.0
C18 B:JCY502 1.4 10.5 1.0
C17 B:JCY502 2.3 13.6 1.0
C20 B:JCY502 2.4 12.1 1.0
N B:ALA366 3.2 9.4 1.0
CB B:ASN365 3.3 11.0 1.0
C B:ASN365 3.4 13.0 1.0
C B:ALA366 3.5 7.8 1.0
C16 B:JCY502 3.6 10.3 1.0
CA B:ALA366 3.6 9.8 1.0
CB B:TYR211 3.6 11.2 1.0
O B:ALA366 3.6 9.7 1.0
C21 B:JCY502 3.6 13.1 1.0
O B:ASN365 3.8 13.1 1.0
CA B:ASN365 3.8 9.3 1.0
O B:HOH655 3.9 16.6 1.0
CD2 B:TYR334 3.9 9.8 1.0
N B:LEU367 4.0 8.0 1.0
CE2 B:TYR334 4.0 11.3 1.0
C15 B:JCY502 4.1 11.6 1.0
O B:TYR212 4.3 11.7 1.0
CG B:ASN365 4.3 12.6 1.0
CG B:LEU367 4.4 9.9 1.0
CA B:TYR211 4.6 10.9 1.0
O B:HOH714 4.6 18.3 1.0
CG B:TYR211 4.7 9.6 1.0
CD2 B:LEU367 4.7 10.0 1.0
ND2 B:ASN365 4.7 17.4 1.0
N B:TYR212 4.8 9.6 1.0
CA B:LEU367 4.8 8.5 1.0
O22 B:JCY502 4.8 15.6 1.0
CG B:TYR334 4.9 8.5 1.0
C23 B:JCY502 5.0 16.8 1.0

Fluorine binding site 3 out of 3 in 6mb1

Go back to Fluorine Binding Sites List in 6mb1
Fluorine 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 Fluorine with other atoms in the F 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:F502

b:15.8
occ:1.00
 F19 C:JCY502 0.0 15.8 1.0
C18 C:JCY502 1.4 12.0 1.0
C17 C:JCY502 2.3 12.4 1.0
C20 C:JCY502 2.4 11.7 1.0
N C:ALA366 3.2 8.7 1.0
CB C:ASN365 3.2 8.2 1.0
C C:ASN365 3.4 12.2 1.0
C C:ALA366 3.4 7.6 1.0
O C:ALA366 3.5 11.1 1.0
C16 C:JCY502 3.6 12.1 1.0
CA C:ALA366 3.6 9.6 1.0
C21 C:JCY502 3.6 12.1 1.0
CB C:TYR211 3.7 10.2 1.0
CA C:ASN365 3.8 10.4 1.0
O C:HOH714 3.8 14.8 1.0
O C:ASN365 3.8 11.3 1.0
N C:LEU367 4.0 8.1 1.0
CD2 C:TYR334 4.0 8.9 1.0
CE2 C:TYR334 4.1 10.3 1.0
C15 C:JCY502 4.1 10.7 1.0
O C:TYR212 4.3 10.7 1.0
CG C:ASN365 4.3 13.1 1.0
CG C:LEU367 4.3 7.8 1.0
O C:HOH749 4.6 18.8 1.0
CD2 C:LEU367 4.6 9.5 1.0
CA C:TYR211 4.6 10.4 1.0
CG C:TYR211 4.7 11.6 1.0
N C:TYR212 4.7 10.0 1.0
CA C:LEU367 4.8 9.0 1.0
O22 C:JCY502 4.8 18.5 1.0
ND2 C:ASN365 4.9 20.2 1.0
OD1 C:ASN365 5.0 15.4 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: Tue Jul 15 13:07:37 2025

Last articles

Zn in 5A89
Zn in 5A80
Zn in 5A7W
Zn in 5A7S
Zn in 5A7U
Zn in 5A7Q
Zn in 5A7P
Zn in 5A7O
Zn in 5A5Z
Zn in 5A7N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy