Calcium in PDB 1ekx: The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate)

Enzymatic activity of The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate)

All present enzymatic activity of The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate):
2.1.3.2;

Protein crystallography data

The structure of The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate), PDB code: 1ekx was solved by J.A.Endrizzi, P.T.Beernink, T.Alber, H.K.Schachman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 1.95
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	58.120, 82.130, 252.510, 90.00, 90.00, 90.00
*R / R_free (%)*	17.1 / 21.4

Calcium Binding Sites:

The binding sites of Calcium atom in the The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate) (pdb code 1ekx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate), PDB code: 1ekx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1ekx

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Calcium Binding Sites List in 1ekx

Calcium binding site 1 out of 2 in the The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate)

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Ca311 b:15.6 occ:1.00	OD2	B:ASP153	2.5	21.2	1.0
	O	B:HOH1078	2.5	12.8	1.0
	O	B:HOH1173	2.7	24.0	1.0
	O	B:HOH1209	2.8	38.2	1.0
	CG	B:ASP153	3.6	17.6	1.0
	O	B:HOH1062	4.0	18.5	1.0
	CB	B:ASP153	4.1	15.6	1.0
	O	B:HOH1174	4.5	17.6	1.0
	OD1	B:ASP153	4.5	17.2	1.0
	O	B:HOH1210	4.7	31.9	1.0
	O	B:HOH1063	4.8	12.3	1.0

Calcium binding site 2 out of 2 in 1ekx

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Calcium Binding Sites List in 1ekx

Calcium binding site 2 out of 2 in the The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate)

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Isolated, Unregulated Catalytic Trimer of Aspartate Transcarbamoylase Complexed with Bisubstrate Analog Pala (N-(Phosphonacetyl)-L-Aspartate) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Ca311 b:28.1 occ:1.00	O	C:HOH1048	2.9	18.7	1.0
	O	C:HOH1154	3.0	17.0	1.0
	ND2	C:ASN132	3.3	8.6	1.0
	NH2	C:ARG113	3.7	19.8	1.0
	CB	C:SER11	3.9	11.5	1.0
	O	C:HOH1053	4.0	39.7	1.0
	OG	C:SER11	4.1	19.0	1.0
	NE	C:ARG113	4.1	21.5	1.0
	CG	C:GLN133	4.2	7.0	1.0
	CG	C:ASN132	4.2	11.0	1.0
	OD1	C:ASN132	4.3	8.0	1.0
	CZ	C:ARG113	4.4	22.6	1.0
	O	C:HOH1049	4.7	20.6	1.0
	CG2	C:ILE10	4.8	6.0	1.0
	O	C:HOH1224	4.9	34.3	1.0
	O	C:HOH1153	4.9	13.7	1.0
	O	C:HOH1052	4.9	38.4	1.0
	O	C:HOH1028	4.9	3.9	1.0
	O	C:HOH1051	5.0	16.8	1.0

Reference:

J.A.Endrizzi, P.T.Beernink, T.Alber, H.K.Schachman. Binding of Bisubstrate Analog Promotes Large Structural Changes in the Unregulated Catalytic Trimer of Aspartate Transcarbamoylase: Implications For Allosteric Regulation Induced Cell Migration. Proc.Natl.Acad.Sci.Usa V. 97 5077 2000.
ISSN: ISSN 0027-8424
PubMed: 10805770
DOI: 10.1073/PNAS.090087197

Page generated: Thu Jul 11 07:52:06 2024

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