Magnesium in PDB 6qda: Leishmania Major N-Myristoyltransferase in Complex with Quinazoline Inhibitor Imp-0000811

Enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Quinazoline Inhibitor Imp-0000811

All present enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Quinazoline Inhibitor Imp-0000811:
2.3.1.97;

Protein crystallography data

The structure of Leishmania Major N-Myristoyltransferase in Complex with Quinazoline Inhibitor Imp-0000811, PDB code: 6qda 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)*	49.00 / 1.60
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	48.048, 90.414, 53.316, 90.00, 111.97, 90.00
*R / R_free (%)*	16.5 / 20.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Leishmania Major N-Myristoyltransferase in Complex with Quinazoline Inhibitor Imp-0000811 (pdb code 6qda). 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 Quinazoline Inhibitor Imp-0000811, PDB code: 6qda:

Magnesium binding site 1 out of 1 in 6qda

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Magnesium Binding Sites List in 6qda

Magnesium binding site 1 out of 1 in the Leishmania Major N-Myristoyltransferase in Complex with Quinazoline Inhibitor Imp-0000811

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 Quinazoline Inhibitor Imp-0000811 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg1002 b:17.6 occ:1.00	O	A:LEU175	2.7	12.7	1.0
	O1A	A:MYA1001	2.9	9.9	1.0
	N	A:LYS178	2.9	12.5	1.0
	O5A	A:MYA1001	3.0	11.1	1.0
	N	A:LEU180	3.1	10.0	1.0
	N	A:ARG179	3.4	10.9	1.0
	CB	A:LEU180	3.4	10.6	1.0
	N	A:GLU177	3.5	13.2	1.0
	CA	A:LYS178	3.5	12.8	1.0
	C	A:LYS178	3.5	11.8	1.0
	P1A	A:MYA1001	3.7	9.8	1.0
	CB	A:LYS178	3.7	15.6	1.0
	O2A	A:MYA1001	3.7	10.6	1.0
	C	A:ARG176	3.8	13.5	1.0
	CA	A:LEU180	3.8	9.7	1.0
	C	A:LEU175	3.9	11.6	1.0
	C	A:GLU177	4.0	14.1	1.0
	CA	A:ARG176	4.0	12.1	1.0
	CG1	A:VAL171	4.0	10.1	1.0
	CA	A:GLU177	4.1	14.3	0.5
	C	A:ARG179	4.1	11.5	1.0
	CA	A:GLU177	4.2	14.0	0.5
	P2A	A:MYA1001	4.2	10.0	1.0
	CA	A:ARG179	4.2	11.7	1.0
	N	A:ALA181	4.3	8.7	1.0
	O3A	A:MYA1001	4.4	9.4	1.0
	O	A:LYS178	4.4	12.3	1.0
	N	A:ARG176	4.4	11.7	1.0
	CG	A:LYS178	4.6	18.1	1.0
	O	A:ARG176	4.6	13.9	1.0
	C	A:LEU180	4.6	9.2	1.0
	O6A	A:MYA1001	4.7	9.6	1.0
	CG2	A:VAL171	4.8	9.1	1.0
	CG	A:LEU180	4.8	12.1	1.0
	CB	A:VAL171	4.9	8.7	1.0

Reference:

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

Page generated: Tue Oct 1 15:27:02 2024

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