Magnesium in PDB 1nug: Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)

Enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)

All present enzymatic activity of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form):
2.3.2.13;

Protein crystallography data

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form), PDB code: 1nug was solved by B.Ahvazi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 2.40
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	57.510, 66.810, 116.530, 97.24, 90.28, 98.36
*R / R_free (%)*	19.4 / 24.8

Other elements in 1nug:

The structure of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form) also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Calcium	(Ca)	4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form) (pdb code 1nug). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form), PDB code: 1nug:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1nug

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Magnesium Binding Sites List in 1nug

Magnesium binding site 1 out of 2 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg705 b:41.3 occ:1.00	OD2	A:ASP303	2.2	38.4	1.0
	OD2	A:ASP301	2.2	32.2	1.0
	O	A:SER307	2.5	27.3	1.0
	OD1	A:ASN305	2.6	33.6	1.0
	O	A:HOH1013	2.6	47.1	1.0
	O	A:HOH993	2.9	48.5	1.0
	CG	A:ASP303	3.2	37.7	1.0
	CG	A:ASP301	3.4	32.4	1.0
	CG	A:ASN305	3.5	33.3	1.0
	OD1	A:ASP303	3.6	37.7	1.0
	C	A:SER307	3.7	27.4	1.0
	ND2	A:ASN305	3.8	33.4	1.0
	N	A:ASP303	3.9	35.8	1.0
	N	A:THR302	3.9	34.0	1.0
	OD1	A:ASP301	4.1	32.2	1.0
	CA	A:ASP301	4.2	32.1	1.0
	CB	A:ASP303	4.4	37.0	1.0
	CB	A:ASP301	4.4	32.2	1.0
	CA	A:ASP303	4.5	36.3	1.0
	C	A:ASP301	4.5	33.0	1.0
	O	A:HOH1105	4.5	24.3	1.0
	N	A:SER307	4.5	28.1	1.0
	C	A:ASP303	4.6	36.4	1.0
	CA	A:SER307	4.6	27.7	1.0
	N	A:VAL308	4.6	27.1	1.0
	CA	A:VAL308	4.6	26.9	1.0
	C	A:THR302	4.7	35.3	1.0
	OG1	A:THR302	4.7	35.1	1.0
	N	A:ASN305	4.7	34.1	1.0
	CB	A:ASN305	4.8	33.1	1.0
	CA	A:THR302	4.8	34.8	1.0
	O	A:ASP303	4.9	36.5	1.0
	N	A:ARG304	4.9	36.4	1.0
	CG2	A:VAL308	4.9	27.3	1.0
	CB	A:SER307	5.0	27.9	1.0

Magnesium binding site 2 out of 2 in 1nug

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Magnesium Binding Sites List in 1nug

Magnesium binding site 2 out of 2 in the Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form)

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Role of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme (2 Calciums, 1 Mg, Inactive Form) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Mg705 b:48.1 occ:1.00	O	B:SER307	2.1	33.1	1.0
	OD2	B:ASP303	2.4	43.1	1.0
	OD2	B:ASP301	2.4	36.9	1.0
	OD1	B:ASN305	2.9	38.4	1.0
	CG	B:ASP303	3.3	42.5	1.0
	C	B:SER307	3.4	33.2	1.0
	O	B:HOH984	3.4	23.2	1.0
	CG	B:ASP301	3.5	36.9	1.0
	OD1	B:ASP303	3.6	42.5	1.0
	CG	B:ASN305	3.9	38.5	1.0
	CA	B:VAL308	4.0	31.8	1.0
	N	B:VAL308	4.1	32.5	1.0
	ND2	B:ASN305	4.2	38.5	1.0
	N	B:THR302	4.2	38.9	1.0
	OD1	B:ASP301	4.2	37.2	1.0
	CA	B:ASP301	4.2	36.8	1.0
	N	B:ASP303	4.3	41.0	1.0
	CB	B:ASP301	4.3	36.7	1.0
	CA	B:SER307	4.5	33.9	1.0
	CB	B:ASP303	4.5	42.0	1.0
	C	B:ASP301	4.6	37.8	1.0
	N	B:SER307	4.6	34.7	1.0
	OD2	B:ASP309	4.6	30.5	1.0
	CG1	B:VAL308	4.7	31.9	1.0
	CA	B:ASP303	4.8	41.5	1.0
	C	B:ASP303	4.9	41.6	1.0
	C	B:VAL308	4.9	31.3	1.0
	CB	B:SER307	4.9	33.9	1.0
	OG	B:SER307	5.0	34.4	1.0
	N	B:ASP309	5.0	30.5	1.0
	CB	B:VAL308	5.0	31.7	1.0

Reference:

B.Ahvazi, K.M.Boeshans, W.Idler, U.Baxa, P.M.Steinert. Roles of Calcium Ions in the Activation and Activity of the Transglutaminase 3 Enzyme J.Biol.Chem. V. 278 23834 2003.
ISSN: ISSN 0021-9258
PubMed: 12679341
DOI: 10.1074/JBC.M301162200

Page generated: Tue Aug 13 10:22:42 2024

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