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Chlorine in PDB 4h2i: Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp

Enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp

All present enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp:
3.1.3.5;

Protein crystallography data

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp, PDB code: 4h2i was solved by N.Straeter, K.M.Knapp, M.Zebisch, J.Pippel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.22 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 53.160, 94.860, 234.280, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 21.5

Other elements in 4h2i:

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp 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 III (Closed) in Complex with Ampcp (pdb code 4h2i). 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 III (Closed) in Complex with Ampcp, PDB code: 4h2i:

Chlorine binding site 1 out of 1 in 4h2i

Go back to Chlorine Binding Sites List in 4h2i
Chlorine binding site 1 out of 1 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form III (Closed) in Complex with Ampcp


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 III (Closed) in Complex with Ampcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:59.4
occ:1.00
 O A:HOH1048 2.6 40.6 1.0
O A:HOH1012 2.8 40.1 1.0
N A:GLU224 3.0 22.2 1.0
O A:HOH756 3.2 19.6 1.0
N A:PHE223 3.3 21.9 1.0
CG A:GLU224 3.4 30.1 1.0
CB A:GLU224 3.5 26.5 1.0
C A:GLY222 3.7 22.7 1.0
CA A:GLU224 3.8 24.3 1.0
C A:PHE223 3.9 23.0 1.0
CB A:SER244 3.9 24.7 1.0
CA A:PHE223 3.9 21.6 1.0
CA A:GLY222 4.0 22.9 1.0
CB A:PHE223 4.0 22.4 1.0
OG A:SER244 4.1 23.1 1.0
O A:GLY222 4.5 21.6 1.0
O A:HOH802 4.5 36.5 1.0
CD A:GLU224 4.7 32.4 1.0
N A:MET225 4.9 22.7 1.0
C A:GLU224 4.9 23.2 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 10:41:29 2020

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