Atomistry » Magnesium » PDB 6nop-6o2r » 6nxg
Atomistry »
  Magnesium »
    PDB 6nop-6o2r »
      6nxg »

Magnesium in PDB 6nxg: Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A

Enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A

All present enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A, PDB code: 6nxg was solved by B.L.Staker, S.Mayclin, Seattle Structural Genomics Center Forinfectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.29 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.420, 119.030, 175.350, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 17.4

Other elements in 6nxg:

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A (pdb code 6nxg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A, PDB code: 6nxg:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 6nxg

Go back to Magnesium Binding Sites List in 6nxg
Magnesium binding site 1 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:18.8
occ:1.00
 O A:LEU169 2.7 11.8 1.0
N A:LYS172 2.9 12.9 1.0
O2A A:MYA505 3.0 9.5 1.0
O5A A:MYA505 3.0 9.5 1.0
N A:LEU174 3.2 10.3 1.0
N A:ARG173 3.4 11.4 1.0
CA A:LYS172 3.5 13.0 1.0
N A:SER171 3.5 12.5 1.0
CB A:LEU174 3.5 10.2 0.5
CB A:LEU174 3.5 9.9 0.5
C A:LYS172 3.6 12.2 1.0
CB A:LYS172 3.6 13.7 1.0
C A:ARG170 3.8 12.3 1.0
P1A A:MYA505 3.8 10.2 1.0
CG A:LEU174 3.8 10.2 0.5
C A:LEU169 3.9 11.8 1.0
CG1 A:VAL165 3.9 9.5 1.0
O1A A:MYA505 3.9 10.5 1.0
C A:SER171 3.9 13.1 1.0
CA A:LEU174 3.9 10.0 0.5
CA A:LEU174 4.0 9.8 0.5
CA A:ARG170 4.0 11.7 1.0
CD1 A:LEU174 4.1 10.3 0.5
CA A:SER171 4.2 13.0 1.0
C A:ARG173 4.2 10.7 1.0
P2A A:MYA505 4.2 9.5 1.0
CA A:ARG173 4.3 11.1 1.0
N A:ARG170 4.4 11.8 1.0
O3A A:MYA505 4.4 9.7 1.0
CG A:LYS172 4.4 14.5 1.0
O A:LYS172 4.4 12.2 1.0
N A:ALA175 4.4 8.9 1.0
O A:ARG170 4.5 12.6 1.0
CG2 A:VAL165 4.7 9.1 1.0
O6A A:MYA505 4.7 9.3 1.0
C A:LEU174 4.7 9.4 1.0
CB A:VAL165 4.7 9.1 1.0
CG A:LEU174 4.9 10.4 0.5

Magnesium binding site 2 out of 3 in 6nxg

Go back to Magnesium Binding Sites List in 6nxg
Magnesium binding site 2 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:18.6
occ:1.00
 O B:LEU169 2.8 12.2 1.0
N B:LYS172 2.9 13.3 1.0
O2A B:MYA504 2.9 9.5 1.0
O5A B:MYA504 3.0 9.8 1.0
N B:LEU174 3.3 10.9 1.0
N B:ARG173 3.4 12.0 1.0
CA B:LYS172 3.5 13.8 1.0
N B:SER171 3.5 12.5 1.0
CB B:LYS172 3.5 15.1 1.0
CB B:LEU174 3.6 11.6 1.0
C B:LYS172 3.6 12.8 1.0
P1A B:MYA504 3.8 10.0 1.0
C B:ARG170 3.8 12.5 1.0
CG1 B:VAL165 3.9 9.9 1.0
CG B:LEU174 3.9 12.6 1.0
C B:LEU169 3.9 12.7 1.0
O1A B:MYA504 4.0 9.8 1.0
C B:SER171 4.0 13.3 1.0
CA B:LEU174 4.0 10.9 1.0
CA B:ARG170 4.0 12.0 1.0
CD1 B:LEU174 4.0 13.1 1.0
P2A B:MYA504 4.2 10.1 1.0
CA B:SER171 4.2 12.9 1.0
C B:ARG173 4.2 11.4 1.0
CA B:ARG173 4.3 11.6 1.0
CG B:LYS172 4.4 16.6 1.0
O3A B:MYA504 4.4 9.7 1.0
N B:ARG170 4.4 12.5 1.0
O B:LYS172 4.5 12.7 1.0
N B:ALA175 4.5 9.3 1.0
O B:ARG170 4.5 12.6 1.0
O6A B:MYA504 4.7 9.8 1.0
CG2 B:VAL165 4.7 9.4 1.0
CB B:VAL165 4.7 9.5 1.0
C B:LEU174 4.7 9.9 1.0

Magnesium binding site 3 out of 3 in 6nxg

Go back to Magnesium Binding Sites List in 6nxg
Magnesium binding site 3 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor 303A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg504

b:18.8
occ:1.00
 O C:LEU169 2.7 11.8 1.0
O2A C:MYA501 2.9 9.9 1.0
N C:LYS172 2.9 13.6 1.0
O5A C:MYA501 3.0 10.3 1.0
N C:LEU174 3.2 10.8 1.0
N C:ARG173 3.4 11.8 1.0
N C:SER171 3.5 12.9 1.0
CA C:LYS172 3.5 13.7 1.0
CB C:LEU174 3.6 11.4 1.0
CB C:LYS172 3.6 14.5 1.0
C C:LYS172 3.6 12.6 1.0
P1A C:MYA501 3.8 9.7 1.0
C C:ARG170 3.8 12.6 1.0
C C:LEU169 3.9 11.9 1.0
O1A C:MYA501 3.9 10.1 1.0
CG C:LEU174 3.9 12.5 1.0
CA C:ARG170 4.0 12.1 1.0
CA C:LEU174 4.0 10.7 1.0
C C:SER171 4.0 13.9 1.0
CD1 C:LEU174 4.1 13.2 1.0
CG1 C:VAL165 4.1 10.0 1.0
CA C:SER171 4.2 13.7 1.0
P2A C:MYA501 4.2 10.4 1.0
C C:ARG173 4.2 11.1 1.0
CA C:ARG173 4.3 11.3 1.0
O3A C:MYA501 4.3 10.3 1.0
N C:ARG170 4.4 12.2 1.0
CG C:LYS172 4.5 15.8 1.0
N C:ALA175 4.5 9.2 1.0
O C:LYS172 4.5 12.4 1.0
O C:ARG170 4.6 12.7 1.0
O6A C:MYA501 4.7 10.2 1.0
C C:LEU174 4.7 9.8 1.0
CG2 C:VAL165 4.8 9.5 1.0
CB C:VAL165 4.8 9.5 1.0

Reference:

A.Harupa, L.De Las Heras, G.Colmenarejo, S.Lyons-Abbott, A.Reers, I.Caballero Hernandez, C.W.Chung, D.Charter, P.J.Myler, R.M.Fernandez-Menendez, F.Calderon, S.Palomo, B.Rodriguez, M.Berlanga, E.Herreros-Aviles, B.L.Staker, E.Fernandez Alvaro, A.Kaushansky. Identification of Selective Inhibitors of Plasmodium N-Myristoyltransferase By High-Throughput Screening. J.Med.Chem. 2019.
ISSN: ISSN 0022-2623
PubMed: 31850752
DOI: 10.1021/ACS.JMEDCHEM.9B01343
Page generated: Tue Oct 1 12:54:35 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy