Chlorine in PDB 4q1u: Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation

Enzymatic activity of Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation

All present enzymatic activity of Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation:
3.1.1.2; 3.1.1.81; 3.1.8.1;

Protein crystallography data

The structure of Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation, PDB code: 4q1u was solved by M.Ben-David, J.L.Sussman, D.S.Tawfik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	44.47 / 2.30
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	93.514, 93.514, 144.007, 90.00, 90.00, 90.00
*R / R_free (%)*	17.6 / 21.2

Other elements in 4q1u:

The structure of Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Calcium	(Ca)	2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation (pdb code 4q1u). 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 Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation, PDB code: 4q1u:

Chlorine binding site 1 out of 1 in 4q1u

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Chlorine Binding Sites List in 4q1u

Chlorine binding site 1 out of 1 in the Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Serum Paraoxonase-1 By Directed Evolution with the K192Q Mutation within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl405 b:30.5 occ:1.00	N	A:ILE187	3.2	36.2	1.0
	N	A:ASP188	3.4	47.3	1.0
	CB	A:ILE187	3.9	40.0	1.0
	CD1	A:PHE186	3.9	34.8	1.0
	CA	A:ILE187	3.9	38.7	1.0
	CB	A:ASP188	4.0	45.6	1.0
	CB	A:PHE186	4.0	32.9	1.0
	CD2	A:LEU191	4.1	41.4	1.0
	C	A:ILE187	4.1	43.3	1.0
	CA	A:PHE186	4.2	32.7	1.0
	C	A:PHE186	4.2	40.3	1.0
	CA	A:ASP188	4.3	39.8	1.0
	CG1	A:ILE187	4.3	38.3	1.0
	CG	A:PHE186	4.5	33.1	1.0
	CD1	A:ILE187	4.8	33.2	1.0
	CE1	A:PHE186	5.0	40.2	1.0

Reference:

M.Ben-David, J.L.Sussman, C.I.Maxwell, K.Szeler, S.C.Kamerlin, D.S.Tawfik. Catalytic Stimulation By Restrained Active-Site Floppiness - the Case of High-Density Lipoprotein Bound Serum Paraoxonase-1. J.Mol.Biol. 2015.
ISSN: ESSN 1089-8638
PubMed: 25644661
DOI: 10.1016/J.JMB.2015.01.013

Page generated: Sat Dec 12 11:04:27 2020

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