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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 / Rfree (%) 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

Go back to 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

Go back to 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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