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Chlorine in PDB 4h2b: Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin

Enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin

All present enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin:
3.1.3.5;

Protein crystallography data

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin, PDB code: 4h2b was solved by M.Zebisch, J.Pippel, K.Knapp, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.83 / 1.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.263, 131.056, 66.238, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 18

Other elements in 4h2b:

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin (pdb code 4h2b). 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 Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin, PDB code: 4h2b:

Chlorine binding site 1 out of 1 in 4h2b

Go back to Chlorine Binding Sites List in 4h2b
Chlorine binding site 1 out of 1 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:26.5
occ:1.00
 O A:HOH828 2.9 23.4 1.0
O A:HOH1030 2.9 33.1 1.0
O A:HOH732 3.2 14.2 1.0
N A:GLU224 3.2 14.4 1.0
N A:PHE223 3.5 12.9 1.0
CB A:GLU224 3.7 18.4 1.0
CG A:GLU224 3.7 19.7 1.0
C A:GLY222 3.8 12.1 1.0
CA A:GLY222 3.9 11.4 1.0
CB A:SER244 3.9 10.9 1.0
CA A:GLU224 4.0 16.5 1.0
C A:PHE223 4.1 13.5 1.0
OG A:SER244 4.2 10.5 1.0
CA A:PHE223 4.2 12.7 1.0
CB A:PHE223 4.4 13.0 1.0
O A:GLY222 4.5 12.7 1.0
O A:HOH1031 4.7 32.7 1.0
O A:HOH1024 4.9 33.2 1.0
N A:MET225 4.9 15.2 1.0
O A:SER221 4.9 13.1 1.0

Reference:

K.Knapp, M.Zebisch, J.Pippel, A.El-Tayeb, C.E.Muller, N.Strater. Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights Into the Regulation of Purinergic Signaling. Structure V. 20 2161 2012.
ISSN: ISSN 0969-2126
PubMed: 23142347
DOI: 10.1016/J.STR.2012.10.001
Page generated: Sat Dec 12 10:41:24 2020

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