Magnesium in PDB 4jas: Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V)

Enzymatic activity of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V)

All present enzymatic activity of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V):
2.7.13.3;

Protein crystallography data

The structure of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V), PDB code: 4jas was solved by A.I.Podgornaia, P.Casino, A.Marina, M.T.Laub, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.91 / 3.00
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	75.710, 85.309, 185.595, 90.00, 90.00, 90.00
*R / R_free (%)*	20.9 / 25.2

Other elements in 4jas:

Fluorine

(F)

3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V) (pdb code 4jas). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V), PDB code: 4jas:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4jas

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Magnesium Binding Sites List in 4jas

Magnesium binding site 1 out of 2 in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V)

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg502 b:58.4 occ:1.00	O1A	A:ADP501	2.3	51.1	1.0
	O3B	A:ADP501	2.5	56.0	1.0
	OD1	A:ASN380	2.7	58.5	1.0
	O1B	A:ADP501	3.1	54.0	1.0
	PB	A:ADP501	3.3	55.1	1.0
	OD1	A:ASN376	3.3	73.8	1.0
	NZ	A:LYS383	3.5	64.1	1.0
	PA	A:ADP501	3.5	52.1	1.0
	CG	A:ASN380	3.6	58.0	1.0
	O	A:HOH601	3.6	44.2	1.0
	ND2	A:ASN380	3.7	59.9	1.0
	O3A	A:ADP501	3.8	53.9	1.0
	CE	A:LYS383	4.2	64.9	1.0
	CA	A:GLY445	4.3	63.3	1.0
	CG	A:ASN376	4.5	71.2	1.0
	O2A	A:ADP501	4.5	53.5	1.0
	O5'	A:ADP501	4.7	53.1	1.0
	O2B	A:ADP501	4.7	52.4	1.0
	N	A:GLY445	4.7	64.8	1.0
	O	A:ASN376	4.8	59.1	1.0
	CB	A:ASN380	5.0	58.3	1.0

Magnesium binding site 2 out of 2 in 4jas

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Magnesium Binding Sites List in 4jas

Magnesium binding site 2 out of 2 in the Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V)

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structural Basis of A Rationally Rewired Protein-Protein Interface (HK853MUTANT A268V, A271G, T275M, V294T and D297E and RR468MUTANT V13P, L14I, I17M and N21V) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mg201 b:45.8 occ:1.00	F1	B:BFD53	1.9	43.5	0.8
	O	B:HOH306	1.9	39.6	1.0
	OD2	B:BFD53	2.0	49.1	1.0
	O	B:HOH304	2.2	40.6	1.0
	O	B:MET55	2.2	50.8	1.0
	OD1	B:ASP10	2.2	51.5	1.0
	BE	B:BFD53	3.0	43.8	0.8
	CG	B:BFD53	3.0	51.0	1.0
	CG	B:ASP10	3.1	52.6	1.0
	OD2	B:ASP10	3.3	53.3	1.0
	C	B:MET55	3.3	51.0	1.0
	OD1	B:BFD53	3.4	51.3	1.0
	F2	B:BFD53	4.0	44.4	0.8
	CA	B:MET55	4.1	52.5	1.0
	F3	B:BFD53	4.1	44.1	0.8
	OD1	B:ASP9	4.1	60.2	1.0
	CG	B:MET56	4.2	52.0	1.0
	CB	B:MET55	4.2	55.0	1.0
	N	B:MET55	4.2	53.0	1.0
	CB	B:BFD53	4.3	52.5	1.0
	N	B:MET56	4.4	50.6	1.0
	CB	B:ASP10	4.5	53.7	1.0
	N	B:ASP10	4.6	54.5	1.0
	CA	B:MET56	4.6	50.2	1.0
	CG	B:ASP9	4.8	61.4	1.0
	CG	A:PRO440	4.8	55.0	1.0
	NZ	B:LYS105	4.8	56.7	1.0
	OD2	B:ASP9	4.9	63.0	1.0

Reference:

A.I.Podgornaia, P.Casino, A.Marina, M.T.Laub. Structural Basis of A Rationally Rewired Protein-Protein Interface Critical to Bacterial Signaling Structure V. 21 1636 2013.
ISSN: ISSN 0969-2126
PubMed: 23954504
DOI: 10.1016/J.STR.2013.07.005

Page generated: Fri Aug 16 17:20:09 2024

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