Chlorine in PDB 4myq: Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33

Enzymatic activity of Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33

All present enzymatic activity of Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33:
3.1.4.17;

Protein crystallography data

The structure of Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33, PDB code: 4myq was solved by D.Fox Iii, T.E.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	49.85 / 1.90
*Space group*	P 4₂
*Cell size a, b, c (Å), α, β, γ (°)*	99.700, 99.700, 47.020, 90.00, 90.00, 90.00
*R / R_free (%)*	18.8 / 22.2

Other elements in 4myq:

The structure of Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Zinc	(Zn)	1 atom
Sodium	(Na)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33 (pdb code 4myq). 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 Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33, PDB code: 4myq:

Chlorine binding site 1 out of 1 in 4myq

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Chlorine Binding Sites List in 4myq

Chlorine binding site 1 out of 1 in the Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Selective Inhibition of the Catalytic Domain of Human Phosphodiesterase 4B with A-33 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl701 b:29.1 occ:1.00	CL1	A:19T701	0.0	29.1	1.0
	C9	A:19T701	1.8	17.9	1.0
	C10	A:19T701	2.8	17.1	1.0
	S8	A:19T701	3.1	14.2	1.0
	CG	A:MET603	3.4	20.2	1.0
	CA	A:LEU674	3.4	37.3	1.0
	CE	A:LYS677	3.5	26.7	1.0
	CD1	A:LEU674	3.7	33.7	1.0
	CD	A:LYS677	3.8	25.2	1.0
	O	A:LEU674	4.0	35.9	1.0
	O	A:GLY673	4.0	43.9	1.0
	CB	A:LEU674	4.0	36.6	1.0
	C11	A:19T701	4.1	15.7	1.0
	SD	A:MET603	4.1	21.5	1.0
	N	A:LEU674	4.2	37.8	1.0
	C	A:LEU674	4.2	34.8	1.0
	C7	A:19T701	4.2	14.9	1.0
	C	A:GLY673	4.4	42.6	1.0
	CG	A:LEU674	4.5	34.4	1.0
	CE2	A:PHE678	4.5	15.8	1.0
	CB	A:MET603	4.7	19.0	1.0
	CG	A:LYS677	4.7	24.3	1.0
	CE	A:MET603	4.9	19.9	1.0
	NZ	A:LYS677	4.9	27.0	1.0

Reference:

D.Fox, A.B.Burgin, M.E.Gurney. Structural Basis For the Design of Selective Phosphodiesterase 4B Inhibitors. Cell Signal V. 26 657 2014.
PubMed: 24361374
DOI: 10.1016/J.CELLSIG.2013.12.003

Page generated: Sat Dec 12 10:57:27 2020

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