Chlorine in PDB 4h2f: Human Ecto-5'-Nucleotidase (CD73): Crystal Form I (Open) in Complex with Adenosine

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

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

Protein crystallography data

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form I (Open) in Complex with Adenosine, PDB code: 4h2f 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)*	41.89 / 1.85
*Space group*	P 4₃ 3 2
*Cell size a, b, c (Å), α, β, γ (°)*	167.548, 167.548, 167.548, 90.00, 90.00, 90.00
*R / R_free (%)*	15.7 / 17.9

Other elements in 4h2f:

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

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form I (Open) in Complex with Adenosine (pdb code 4h2f). 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 I (Open) in Complex with Adenosine, PDB code: 4h2f:

Chlorine binding site 1 out of 1 in 4h2f

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Chlorine Binding Sites List in 4h2f

Chlorine binding site 1 out of 1 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form I (Open) in Complex with Adenosine

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 I (Open) in Complex with Adenosine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl603 b:36.5 occ:1.00	O	A:HOH1032	2.8	34.8	1.0
	O	A:HOH1023	3.1	44.7	1.0
	O	A:HOH717	3.2	19.4	1.0
	N	A:GLU224	3.2	19.0	1.0
	N	A:PHE223	3.5	16.6	1.0
	CG	A:GLU224	3.6	31.1	1.0
	CB	A:GLU224	3.7	25.4	1.0
	C	A:GLY222	3.8	16.7	1.0
	CB	A:SER244	3.8	16.8	1.0
	CA	A:GLY222	3.9	16.9	1.0
	CA	A:GLU224	4.1	20.6	1.0
	OG	A:SER244	4.1	16.7	1.0
	C	A:PHE223	4.2	18.4	1.0
	CA	A:PHE223	4.2	17.1	1.0
	CB	A:PHE223	4.4	18.3	1.0
	O	A:HOH880	4.4	42.3	1.0
	O	A:GLY222	4.6	17.9	1.0
	O	A:HOH1111	4.7	51.0	1.0
	O	A:SER221	4.8	20.0	1.0
	N	A:MET225	4.9	19.1	1.0
	CD	A:GLU224	4.9	36.4	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: Sun Jul 21 15:24:06 2024

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