Magnesium in PDB 6qde: Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000877

Enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000877

All present enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000877:
2.3.1.97;

Protein crystallography data

The structure of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000877, PDB code: 6qde 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)*	45.00 / 1.45
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	47.874, 90.474, 53.268, 90.00, 111.72, 90.00
*R / R_free (%)*	16.1 / 19.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000877 (pdb code 6qde). 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-0000877, PDB code: 6qde:

Magnesium binding site 1 out of 1 in 6qde

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Magnesium Binding Sites List in 6qde

Magnesium binding site 1 out of 1 in the Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000877

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-0000877 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg501 b:18.1 occ:1.00	O	A:LEU175	2.7	10.9	1.0
	O1A	A:MYA504	2.9	8.5	1.0
	N	A:LYS178	2.9	11.2	1.0
	N	A:LEU180	3.1	8.5	1.0
	O5A	A:MYA504	3.1	8.2	1.0
	N	A:ARG179	3.3	9.3	1.0
	N	A:GLU177	3.4	10.3	1.0
	CA	A:LYS178	3.5	11.3	1.0
	CB	A:LEU180	3.5	8.5	1.0
	C	A:LYS178	3.5	11.0	1.0
	P1A	A:MYA504	3.7	8.2	1.0
	CB	A:LYS178	3.7	13.6	1.0
	O2A	A:MYA504	3.7	8.7	1.0
	C	A:ARG176	3.8	10.3	1.0
	C	A:LEU175	3.8	11.0	1.0
	CA	A:LEU180	3.9	8.0	1.0
	C	A:GLU177	3.9	12.9	1.0
	CA	A:ARG176	4.0	10.1	1.0
	C	A:ARG179	4.1	9.5	1.0
	CG1	A:VAL171	4.1	7.7	1.0
	CA	A:GLU177	4.1	12.8	1.0
	CA	A:ARG179	4.2	9.4	1.0
	P2A	A:MYA504	4.2	8.7	1.0
	N	A:ALA181	4.3	7.9	1.0
	O	A:LYS178	4.3	11.3	1.0
	O3A	A:MYA504	4.4	8.8	1.0
	N	A:ARG176	4.4	9.9	1.0
	CG	A:LYS178	4.5	15.3	1.0
	C	A:LEU180	4.6	8.0	1.0
	O	A:ARG176	4.6	11.7	1.0
	O6A	A:MYA504	4.7	7.9	1.0
	CG	A:LEU180	4.8	10.0	1.0
	CG2	A:VAL171	4.8	7.5	1.0
	CB	A:VAL171	4.9	7.1	1.0

Reference:

J.A.Brannigan, J.A.Brannigan. N/A N/A.

Page generated: Tue Oct 1 15:27:30 2024

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