Chlorine in PDB 4y8u: Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep

Enzymatic activity of Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep

All present enzymatic activity of Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep:
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep, PDB code: 4y8u was solved by E.M.Huber, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	15.00 / 2.90
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	137.120, 302.000, 145.440, 90.00, 113.16, 90.00
*R / R_free (%)*	18.6 / 21.4

Other elements in 4y8u:

The structure of Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep also contains other interesting chemical elements:

Magnesium

(Mg)

6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep (pdb code 4y8u). 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 Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep, PDB code: 4y8u:

Chlorine binding site 1 out of 1 in 4y8u

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Chlorine Binding Sites List in 4y8u

Chlorine binding site 1 out of 1 in the Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Yeast 20S Proteasome BETA2-H116D Mutant in Complex with Ac-Pad-Ep within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
G:Cl302 b:30.0 occ:1.00	OH	H:TYR69	2.7	50.5	1.0
	NH1	G:ARG111	3.0	47.9	1.0
	OD1	G:ASN114	3.1	52.8	1.0
	CD	G:ARG111	3.5	51.1	1.0
	CZ	H:TYR69	3.6	50.3	1.0
	CB	G:ASN114	3.6	47.5	1.0
	CE2	H:TYR69	3.7	50.2	1.0
	CG	G:ASN114	3.7	49.0	1.0
	CZ	G:ARG111	4.0	50.2	1.0
	NE	G:ARG111	4.2	51.3	1.0
	CA	G:ARG111	4.6	49.4	1.0
	O	G:ARG111	4.7	53.8	1.0
	CG	G:ARG111	4.8	50.3	1.0
	CE1	H:TYR69	4.9	50.3	1.0
	ND2	G:ASN114	5.0	49.7	1.0
	CB	G:ARG111	5.0	49.6	1.0

Reference:

E.M.Huber, G.De Bruin, W.Heinemeyer, G.Paniagua Soriano, H.S.Overkleeft, M.Groll. Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc. V. 137 7835 2015.
ISSN: ESSN 1520-5126
PubMed: 26020686
DOI: 10.1021/JACS.5B03688

Page generated: Fri Jul 26 03:57:02 2024

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