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Magnesium in PDB 6qdb: Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081

Enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081

All present enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081:
2.3.1.97;

Protein crystallography data

The structure of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081, PDB code: 6qdb was solved by J.A.Brannigan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.92 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.860, 90.870, 53.200, 90.00, 111.92, 90.00
R / Rfree (%) 15.6 / 18.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081 (pdb code 6qdb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081, PDB code: 6qdb:

Magnesium binding site 1 out of 1 in 6qdb

Go back to Magnesium Binding Sites List in 6qdb
Magnesium binding site 1 out of 1 in the Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000081 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1004

b:18.1
occ:1.00
 O A:LEU175 2.7 12.8 1.0
O1A A:MYA1001 2.8 10.2 1.0
N A:LYS178 2.9 13.7 1.0
N A:LEU180 3.1 10.1 1.0
O5A A:MYA1001 3.1 10.4 1.0
N A:ARG179 3.3 11.8 1.0
N A:GLU177 3.5 11.9 1.0
CB A:LEU180 3.5 11.8 1.0
CA A:LYS178 3.5 14.1 1.0
C A:LYS178 3.5 12.9 1.0
CB A:LYS178 3.7 15.1 1.0
P1A A:MYA1001 3.7 10.2 1.0
O2A A:MYA1001 3.7 11.8 1.0
C A:ARG176 3.8 13.1 1.0
CA A:LEU180 3.8 11.1 1.0
C A:LEU175 3.9 11.8 1.0
C A:GLU177 3.9 15.1 1.0
CA A:ARG176 4.1 12.1 1.0
CG1 A:VAL171 4.1 9.8 1.0
C A:ARG179 4.1 12.0 1.0
CA A:GLU177 4.1 14.2 1.0
CA A:ARG179 4.2 12.7 1.0
P2A A:MYA1001 4.2 10.1 1.0
N A:ALA181 4.3 9.5 1.0
O3A A:MYA1001 4.3 10.5 1.0
O A:LYS178 4.3 14.2 1.0
N A:ARG176 4.4 11.6 1.0
CG A:LYS178 4.6 19.3 1.0
C A:LEU180 4.6 10.2 1.0
O A:ARG176 4.6 14.7 1.0
O6A A:MYA1001 4.7 10.1 1.0
CG2 A:VAL171 4.8 9.1 1.0
CG A:LEU180 4.8 13.2 1.0
CB A:VAL171 4.9 8.0 1.0

Reference:

J.A.Brannigan, J.A.Brannigan. N/A N/A.
Page generated: Tue Oct 1 15:27:14 2024

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