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Chlorine in PDB 2hqu: Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion

Enzymatic activity of Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion

All present enzymatic activity of Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion:
3.6.1.23;

Protein crystallography data

The structure of Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion, PDB code: 2hqu was solved by O.Barabas, B.Varga, B.G.Vertessy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.409, 71.773, 76.475, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 25.1

Other elements in 2hqu:

The structure of Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion (pdb code 2hqu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion, PDB code: 2hqu:

Chlorine binding site 1 out of 1 in 2hqu

Go back to Chlorine Binding Sites List in 2hqu
Chlorine binding site 1 out of 1 in the Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Dutpase in Complex with Alpha,Beta-Iminodutp and Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl999

b:26.5
occ:1.00
 O C:ASP102 2.9 16.8 1.0
O C:ILE72 3.0 20.1 1.0
O C:GLU103 3.0 17.0 1.0
NH2 C:ARG106 3.2 18.4 1.0
N C:LEU74 3.3 21.3 1.0
CD1 C:LEU74 3.3 21.2 1.0
O C:TYR105 3.3 14.5 1.0
C C:GLU103 3.4 17.5 1.0
CA C:GLU103 3.6 17.2 1.0
CG C:LEU74 3.7 21.4 1.0
C C:ILE72 3.7 20.3 1.0
CA C:ALA73 3.8 21.5 1.0
C C:ASP102 3.9 17.4 1.0
CB C:LEU74 3.9 21.3 1.0
C C:ALA73 4.0 22.0 1.0
N C:TYR105 4.1 17.2 1.0
O C:HOH1036 4.1 20.0 1.0
N C:ALA73 4.1 20.5 1.0
CG1 C:ILE72 4.2 19.1 1.0
N C:GLU103 4.2 16.9 1.0
CA C:LEU74 4.2 21.4 1.0
C C:TYR105 4.3 15.3 1.0
N C:ASP104 4.4 17.7 1.0
CZ C:ARG106 4.4 18.8 1.0
CA C:TYR105 4.6 15.2 1.0
CD1 C:ILE72 4.7 18.4 1.0
CG2 C:ILE101 4.7 17.4 1.0
O C:HOH1004 4.7 8.7 1.0
CB C:TYR105 4.7 14.1 1.0
C C:ASP104 4.8 17.3 1.0
CA C:ILE72 4.8 19.3 1.0
NH1 C:ARG106 4.9 17.5 1.0
CA C:ASP104 5.0 17.4 1.0
CB C:ILE72 5.0 19.6 1.0

Reference:

B.Varga, O.Barabas, J.Kovari, J.Toth, E.Hunyadi-Gulyas, E.Klement, K.F.Medzihradszky, F.Tolgyesi, J.Fidy, B.G.Vertessy. Active Site Closure Facilitates Juxtaposition of Reactant Atoms For Initiation of Catalysis By Human Dutpase. Febs Lett. V. 581 4783 2007.
ISSN: ISSN 0014-5793
PubMed: 17880943
DOI: 10.1016/J.FEBSLET.2007.09.005
Page generated: Sat Jul 20 07:54:07 2024

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