Chlorine in PDB 1wxz: Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor

Enzymatic activity of Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor

All present enzymatic activity of Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor:
3.5.4.4;

Protein crystallography data

The structure of Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor, PDB code: 1wxz was solved by T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	37.43 / 2.80
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	77.800, 77.800, 137.400, 90.00, 90.00, 90.00
*R / R_free (%)*	n/a / n/a

Other elements in 1wxz:

The structure of Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor (pdb code 1wxz). 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 Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor, PDB code: 1wxz:

Chlorine binding site 1 out of 1 in 1wxz

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Chlorine Binding Sites List in 1wxz

Chlorine binding site 1 out of 1 in the Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Adenosine Deaminase Ligated with A Potent Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl401 b:38.6 occ:1.00	CL7	A:FRL401	0.0	38.6	1.0
	C6	A:FRL401	1.7	30.9	1.0
	C1	A:FRL401	2.6	29.2	1.0
	C5	A:FRL401	2.7	30.1	1.0
	CG1	A:VAL218	3.4	29.4	1.0
	CA	A:ASP185	3.9	29.2	1.0
	C2	A:FRL401	3.9	26.7	1.0
	OD1	A:ASP185	4.0	33.2	1.0
	C4	A:FRL401	4.0	27.3	1.0
	OE1	A:GLU217	4.1	32.7	1.0
	N	A:ASP185	4.3	28.3	1.0
	O	A:HOH434	4.3	30.1	1.0
	CD2	A:LEU58	4.4	36.5	1.0
	CD1	A:LEU58	4.5	36.2	1.0
	C3	A:FRL401	4.5	25.5	1.0
	N	A:GLU186	4.5	29.2	1.0
	O	A:HOH531	4.5	44.3	1.0
	CB	A:VAL218	4.6	29.7	1.0
	CB	A:ASP185	4.7	29.2	1.0
	C	A:ASP185	4.7	28.2	1.0
	CG	A:ASP185	4.8	32.5	1.0
	CG	A:GLU186	4.9	33.2	1.0
	O	A:HOH489	4.9	21.0	1.0

Reference:

T.Terasaka, K.Tsuji, T.Kato, I.Nakanishi, T.Kinoshita, Y.Kato, M.Kuno, T.Inoue, K.Tanaka, K.Nakamura. Rational Design of Non-Nucleoside, Potent, and Orally Bioavailable Adenosine Deaminase Inhibitors: Predicting Enzyme Conformational Change and Metabolism J.Med.Chem. V. 48 4750 2005.
ISSN: ISSN 0022-2623
PubMed: 16033254
DOI: 10.1021/JM050413G

Page generated: Thu Jul 10 20:22:03 2025

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