Chlorine in PDB 5kez: Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display

Enzymatic activity of Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display

All present enzymatic activity of Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display:
3.2.1.1;

Protein crystallography data

The structure of Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display, PDB code: 5kez was solved by S.Caner, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	39.18 / 1.83
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	52.800, 75.840, 137.260, 90.00, 90.00, 90.00
*R / R_free (%)*	17.7 / 20.8

Other elements in 5kez:

The structure of Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display (pdb code 5kez). 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 and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display, PDB code: 5kez:

Chlorine binding site 1 out of 1 in 5kez

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Chlorine Binding Sites List in 5kez

Chlorine binding site 1 out of 1 in the Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Selective and Potent Inhibition of the Glycosidase Human Amylase By the Short and Extremely Compact Peptide Piha From Mrna Display within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl501 b:18.9 occ:1.00	NH2	A:ARG195	3.2	18.1	1.0
	NE	A:ARG195	3.2	18.1	1.0
	O	A:HOH786	3.2	20.4	1.0
	NH2	A:ARG337	3.2	15.3	1.0
	ND2	A:ASN298	3.2	14.2	1.0
	NH1	A:ARG337	3.4	13.1	1.0
	CZ	A:ARG195	3.6	20.2	1.0
	CZ	A:ARG337	3.8	17.7	1.0
	CG2	A:THR254	3.8	16.0	1.0
	CZ	A:PHE256	4.0	22.2	1.0
	CG	A:GLU233	4.1	20.4	1.0
	CG	A:ASN298	4.3	14.9	1.0
	CD	A:ARG195	4.4	16.7	1.0
	CB	A:ASN298	4.4	16.0	1.0
	CE1	A:PHE256	4.5	19.3	1.0
	CB	A:GLU233	4.6	17.6	1.0
	CZ	A:PHE295	4.7	17.8	1.0
	OE2	A:GLU233	4.7	25.2	1.0
	O	A:HOH614	4.8	27.7	1.0
	CD	A:GLU233	4.8	26.0	1.0
	CB	A:THR254	4.8	15.2	1.0
	CE1	A:HIS299	4.8	20.4	1.0
	CE1	A:PHE295	4.9	18.7	1.0
	CE2	A:PHE256	4.9	18.3	1.0
	CG	A:ARG195	4.9	15.6	1.0
	NH1	A:ARG195	5.0	21.3	1.0

Reference:

S.A.Jongkees, S.Caner, C.Tysoe, G.D.Brayer, S.G.Withers, H.Suga. Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides. Cell Chem Biol V. 24 381 2017.
ISSN: ESSN 2451-9456
PubMed: 28262556
DOI: 10.1016/J.CHEMBIOL.2017.02.001

Page generated: Fri Jul 26 10:39:12 2024

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