Magnesium in PDB 4xer: Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium

Enzymatic activity of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium

All present enzymatic activity of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium:
3.1.3.5; 3.1.3.6; 3.6.1.11;

Protein crystallography data

The structure of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium, PDB code: 4xer was solved by Y.K.Mathiharan, M.R.N.Murthy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	40.32 / 1.97
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	165.550, 96.520, 94.950, 90.00, 98.61, 90.00
*R / R_free (%)*	16.5 / 21.4

Other elements in 4xer:

The structure of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium (pdb code 4xer). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium, PDB code: 4xer:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4xer

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Magnesium Binding Sites List in 4xer

Magnesium binding site 1 out of 3 in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mg303 b:32.9 occ:1.00	O	B:HOH451	2.3	40.2	1.0
	O	B:HOH457	2.3	62.0	1.0
	OD1	B:ASP8	2.3	34.8	1.0
	OD1	B:ASP9	2.5	33.4	1.0
	OD1	B:ASN92	2.6	30.3	1.0
	O	B:HOH456	2.8	35.6	1.0
	O	B:HOH617	3.2	36.0	1.0
	CG	B:ASP8	3.3	34.3	1.0
	O	B:HOH452	3.4	21.9	1.0
	CG	B:ASN92	3.5	30.6	1.0
	CG	B:ASP9	3.5	33.0	1.0
	CB	B:ASP8	3.5	25.4	1.0
	ND2	B:ASN92	3.7	26.5	1.0
	OD2	B:ASP9	3.7	36.6	1.0
	O	B:HOH485	4.1	35.5	1.0
	O	B:HOH505	4.1	42.8	1.0
	O	B:HOH633	4.3	22.2	1.0
	O	B:HOH472	4.4	37.5	1.0
	OD2	B:ASP8	4.4	34.5	1.0
	OG1	B:THR106	4.6	27.2	1.0
	C	B:ASP8	4.6	28.6	1.0
	N	B:ASP9	4.8	27.5	1.0
	CA	B:ASP8	4.8	26.9	1.0
	CB	B:ASP9	4.9	29.2	1.0
	O4	B:PO4301	4.9	46.8	0.8
	CB	B:ASN92	4.9	28.0	1.0
	O	B:ASP8	5.0	28.2	1.0

Magnesium binding site 2 out of 3 in 4xer

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Magnesium Binding Sites List in 4xer

Magnesium binding site 2 out of 3 in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Mg302 b:43.0 occ:1.00	O	C:HOH423	2.3	53.9	1.0
	O	C:HOH555	2.5	42.6	1.0
	OD1	C:ASP8	2.5	35.8	1.0
	OD1	C:ASN92	2.6	34.4	1.0
	OD1	C:ASP9	2.7	34.0	1.0
	O	C:HOH419	3.0	38.4	1.0
	O	C:HOH581	3.1	31.4	1.0
	CG	C:ASP8	3.3	37.6	1.0
	O	C:HOH418	3.4	24.5	1.0
	CG	C:ASN92	3.5	33.3	1.0
	CB	C:ASP8	3.5	32.2	1.0
	CG	C:ASP9	3.6	38.3	1.0
	ND2	C:ASN92	3.7	31.5	1.0
	OD2	C:ASP9	3.8	38.2	1.0
	O	C:HOH437	3.9	35.3	1.0
	O	C:HOH585	4.1	21.4	1.0
	O	C:HOH445	4.3	37.0	1.0
	O	C:HOH475	4.3	45.5	1.0
	OG1	C:THR106	4.5	26.7	1.0
	OD2	C:ASP8	4.5	34.9	1.0
	C	C:ASP8	4.6	36.2	1.0
	CA	C:ASP8	4.7	34.5	1.0
	O	C:ASP8	4.9	32.3	1.0
	CB	C:ASN92	4.9	28.7	1.0
	N	C:ASP9	4.9	31.5	1.0
	CB	C:ASP9	5.0	32.7	1.0

Magnesium binding site 3 out of 3 in 4xer

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Magnesium Binding Sites List in 4xer

Magnesium binding site 3 out of 3 in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
D:Mg301 b:29.6 occ:1.00	OD1	D:ASP9	2.3	44.9	1.0
	O	D:HOH523	2.3	51.3	1.0
	OG	D:SER39	2.3	47.6	1.0
	OD1	D:ASP8	2.4	43.5	1.0
	OD1	D:ASN92	2.5	39.4	1.0
	OD2	D:ASP8	2.8	53.9	1.0
	CG	D:ASP8	2.9	43.9	1.0
	CG	D:ASP9	3.3	50.6	1.0
	CG	D:ASN92	3.5	40.9	1.0
	CB	D:SER39	3.5	53.5	1.0
	OD2	D:ASP9	3.7	56.7	1.0
	O	D:HOH530	3.7	54.4	1.0
	ND2	D:ASN92	3.8	39.4	1.0
	O	D:HOH412	3.9	33.8	1.0
	O	D:HOH427	4.2	48.8	1.0
	OD1	D:ASN37	4.2	53.4	1.0
	CA	D:SER39	4.4	56.6	1.0
	CB	D:ASP8	4.4	37.6	1.0
	N	D:ASP9	4.5	35.6	1.0
	CB	D:ASP9	4.5	41.9	1.0
	CA	D:ASP9	4.6	40.6	1.0
	O	D:ALA93	4.7	50.1	1.0
	C	D:ASP8	4.8	38.0	1.0
	CB	D:ASN92	4.9	41.2	1.0
	OG1	D:THR106	4.9	38.2	1.0
	N	D:SER39	4.9	45.2	1.0

Reference:

Y.K.Mathiharan, H.S.Savithri, M.R.N.Murthy. Insights Into Stabilizing Interactions in the Distorted Domain-Swapped Dimer of Salmonella Typhimurium Survival Protein Acta Crystallogr.,Sect.D V. 71 1812 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004715011992

Page generated: Tue Aug 20 15:29:09 2024

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