Manganese in PDB 5ckx: Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine

Enzymatic activity of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine

All present enzymatic activity of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine:
2.5.1.54; 5.4.99.5;

Protein crystallography data

The structure of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine, PDB code: 5ckx was solved by S.Munack, M.Okvist, U.Krengel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	58.72 / 2.70
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	203.397, 203.397, 67.049, 90.00, 90.00, 120.00
*R / R_free (%)*	20 / 24.9

Other elements in 5ckx:

Chlorine

(Cl)

3 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine (pdb code 5ckx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine, PDB code: 5ckx:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 5ckx

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Manganese Binding Sites List in 5ckx

Manganese binding site 1 out of 2 in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mn501 b:79.4 occ:1.00	NE2	A:HIS369	1.9	0.5	1.0
	OD2	A:ASP441	2.1	94.0	1.0
	OE1	A:GLU411	2.1	71.3	1.0
	HE1	A:HIS369	2.4	1.0	1.0
	CE1	A:HIS369	2.4	0.3	1.0
	SG	A:CYS87	2.8	62.4	1.0
	CD	A:GLU411	2.9	72.7	1.0
	OE2	A:GLU411	3.0	78.1	1.0
	CD2	A:HIS369	3.1	0.0	1.0
	HB2	A:ASP441	3.1	89.9	1.0
	CG	A:ASP441	3.1	76.8	1.0
	HD2	A:HIS369	3.6	0.8	1.0
	ND1	A:HIS369	3.6	85.1	1.0
	HH22	A:ARG382	3.6	0.3	1.0
	CB	A:ASP441	3.6	74.9	1.0
	HB2	A:CYS87	3.6	73.2	1.0
	CB	A:CYS87	3.8	61.0	1.0
	HH22	A:ARG126	3.8	56.8	1.0
	CG	A:HIS369	3.9	92.2	1.0
	HB3	A:ASP441	4.0	89.9	1.0
	HA	A:CYS87	4.0	60.1	1.0
	NH2	A:ARG126	4.2	47.4	1.0
	OD1	A:ASP441	4.2	77.9	1.0
	HD1	A:HIS369	4.2	0.1	1.0
	HH21	A:ARG126	4.3	56.8	1.0
	CG	A:GLU411	4.3	73.0	1.0
	CA	A:CYS87	4.5	50.1	1.0
	NH2	A:ARG382	4.5	86.9	1.0
	HH12	A:ARG382	4.5	94.6	1.0
	H	A:ASP441	4.5	79.8	1.0
	HG2	A:GLU411	4.5	87.7	1.0
	HG3	A:GLU411	4.6	87.7	1.0
	HB3	A:CYS87	4.6	73.2	1.0
	HH21	A:ARG382	4.9	0.3	1.0
	CZ	A:ARG126	4.9	57.8	1.0
	CA	A:ASP441	4.9	77.2	1.0
	HH12	A:ARG126	4.9	75.8	1.0

Manganese binding site 2 out of 2 in 5ckx

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Manganese Binding Sites List in 5ckx

Manganese binding site 2 out of 2 in the Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine

Mono view

Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Non-Covalent Complex of Dahp Synthase and Chorismate Mutase From Mycobacterium Tuberculosis with Bound Transition State Analog and Feedback Effectors Tyrosine and Phenylalanine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mn501 b:92.1 occ:1.00	OE1	B:GLU411	2.2	77.2	1.0
	OE2	B:GLU411	2.2	82.2	1.0
	NE2	B:HIS369	2.5	74.3	1.0
	CD	B:GLU411	2.5	70.2	1.0
	SG	B:CYS87	2.6	76.0	1.0
	HB2	B:ASP441	2.9	0.4	1.0
	OD2	B:ASP441	3.0	73.4	1.0
	HE1	B:HIS369	3.2	80.5	1.0
	CE1	B:HIS369	3.2	67.0	1.0
	HB2	B:CYS87	3.4	76.9	1.0
	HH22	B:ARG382	3.5	89.8	1.0
	CB	B:CYS87	3.6	64.1	1.0
	CD2	B:HIS369	3.6	63.4	1.0
	HH22	B:ARG126	3.6	69.4	1.0
	CB	B:ASP441	3.7	90.3	1.0
	CG	B:ASP441	3.8	83.0	1.0
	HA	B:CYS87	3.8	68.3	1.0
	HD2	B:HIS369	3.9	76.1	1.0
	HB3	B:ASP441	4.0	0.4	1.0
	NH2	B:ARG126	4.0	57.8	1.0
	CG	B:GLU411	4.0	57.9	1.0
	HH21	B:ARG126	4.0	69.4	1.0
	CA	B:CYS87	4.2	56.9	1.0
	NH2	B:ARG382	4.3	74.8	1.0
	ND1	B:HIS369	4.3	67.5	1.0
	HG2	B:GLU411	4.4	69.5	1.0
	HH12	B:ARG382	4.4	88.5	1.0
	HG3	B:GLU411	4.4	69.5	1.0
	HB3	B:CYS87	4.4	76.9	1.0
	H	B:ASP441	4.5	95.3	1.0
	CG	B:HIS369	4.6	63.0	1.0
	HB3	B:GLU411	4.6	68.1	1.0
	HH21	B:ARG382	4.7	89.8	1.0
	O	B:CYS87	4.8	51.4	1.0
	C	B:CYS87	4.8	51.5	1.0
	HG	B:CYS440	4.8	0.7	1.0
	CZ	B:ARG126	4.8	55.7	1.0
	CB	B:GLU411	4.9	56.7	1.0
	HH12	B:ARG126	4.9	66.3	1.0
	CA	B:ASP441	5.0	83.9	1.0
	OD1	B:ASP441	5.0	77.3	1.0
	HB3	B:CYS440	5.0	0.0	1.0

Reference:

S.Munack, K.Roderer, M.Okvist, J.Kamarauskaite, S.Sasso, A.Van Eerde, P.Kast, U.Krengel. Remote Control By Inter-Enzyme Allostery: A Novel Paradigm For Regulation of the Shikimate Pathway. J.Mol.Biol. V. 428 1237 2016.
ISSN: ESSN 1089-8638
PubMed: 26776476
DOI: 10.1016/J.JMB.2016.01.001

Page generated: Sat Oct 5 23:47:26 2024

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