Magnesium in PDB 6qdf: Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000096

Enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000096

All present enzymatic activity of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000096:
2.3.1.97;

Protein crystallography data

The structure of Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000096, PDB code: 6qdf 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 / 1.49
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	47.519, 90.286, 53.010, 90.00, 111.83, 90.00
*R / R_free (%)*	17.2 / 21.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000096 (pdb code 6qdf). 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-0000096, PDB code: 6qdf:

Magnesium binding site 1 out of 1 in 6qdf

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Magnesium Binding Sites List in 6qdf

Magnesium binding site 1 out of 1 in the Leishmania Major N-Myristoyltransferase in Complex with Thienopyrimidine Inhibitor Imp-0000096

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-0000096 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg1002 b:26.4 occ:1.00	O	A:LEU175	2.7	20.9	1.0
	O1A	A:MYA1001	2.8	15.8	1.0
	N	A:LYS178	2.9	20.3	1.0
	O5A	A:MYA1001	3.0	15.9	1.0
	N	A:LEU180	3.1	16.5	1.0
	N	A:GLU177	3.4	19.0	1.0
	N	A:ARG179	3.4	18.5	1.0
	CB	A:LEU180	3.4	18.1	1.0
	CA	A:LYS178	3.5	23.5	1.0
	C	A:LYS178	3.6	20.0	1.0
	CB	A:LYS178	3.7	23.8	1.0
	P1A	A:MYA1001	3.7	16.6	1.0
	O2A	A:MYA1001	3.8	17.7	1.0
	C	A:ARG176	3.8	20.3	1.0
	CA	A:LEU180	3.8	16.9	1.0
	C	A:LEU175	3.9	19.3	1.0
	C	A:GLU177	3.9	22.0	1.0
	CA	A:ARG176	4.0	17.2	1.0
	CG1	A:VAL171	4.1	17.3	1.0
	CA	A:GLU177	4.1	20.4	1.0
	C	A:ARG179	4.1	17.5	1.0
	P2A	A:MYA1001	4.2	16.3	1.0
	CA	A:ARG179	4.2	19.4	1.0
	N	A:ALA181	4.3	16.5	1.0
	O3A	A:MYA1001	4.3	16.2	1.0
	N	A:ARG176	4.4	17.9	1.0
	O	A:LYS178	4.4	21.0	1.0
	O	A:ARG176	4.5	21.8	1.0
	C	A:LEU180	4.6	15.9	1.0
	CG	A:LYS178	4.6	29.7	1.0
	O6A	A:MYA1001	4.7	14.9	1.0
	CG2	A:VAL171	4.7	13.7	1.0
	CG	A:LEU180	4.8	20.4	1.0
	CB	A:VAL171	4.9	13.9	1.0

Reference:

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

Page generated: Tue Oct 1 15:27:35 2024

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