Chlorine in PDB 8ibl: Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation

Enzymatic activity of Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation

All present enzymatic activity of Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation:
3.1.1.74;

Protein crystallography data

The structure of Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation, PDB code: 8ibl was solved by M.Emori, N.Numoto, N.Kamiya, M.Oda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	32.36 / 2.60
*Space group*	P 3
*Cell size a, b, c (Å), α, β, γ (°)*	83.869, 83.869, 64.723, 90, 90, 120
*R / R_free (%)*	21.1 / 26.3

Other elements in 8ibl:

Calcium

(Ca)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation (pdb code 8ibl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation, PDB code: 8ibl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8ibl

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Chlorine Binding Sites List in 8ibl

Chlorine binding site 1 out of 2 in the Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl403 b:44.4 occ:1.00	OG	A:SER76	3.8	37.1	1.0
	N	A:SER76	3.8	35.0	1.0
	NE	A:ARG73	4.1	49.7	1.0
	CA	A:SER75	4.1	37.9	1.0
	CB	A:SER76	4.4	32.0	1.0
	CB	A:SER75	4.4	36.3	1.0
	C	A:SER75	4.5	39.2	1.0
	OG	A:SER75	4.5	31.7	1.0
	CD	A:ARG73	4.7	47.5	1.0
	NH2	A:ARG73	4.7	58.9	1.0
	CA	A:SER76	4.7	38.8	1.0
	CZ	A:ARG73	4.8	51.1	1.0
	O	A:HOH501	4.9	24.0	1.0

Chlorine binding site 2 out of 2 in 8ibl

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Chlorine Binding Sites List in 8ibl

Chlorine binding site 2 out of 2 in the Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mes Bound Form of Pet-Degrading Cutinase CUT190 with Thermostability- Improving Mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A Inactivation within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl403 b:43.7 occ:1.00	OG	B:SER76	3.6	35.1	1.0
	N	B:SER76	3.9	28.6	1.0
	NE	B:ARG73	4.3	50.6	1.0
	CB	B:SER76	4.3	30.4	1.0
	CA	B:SER75	4.4	35.7	1.0
	C	B:SER75	4.7	34.9	1.0
	O	B:HOH503	4.7	20.7	1.0
	CA	B:SER76	4.7	32.7	1.0
	OG	B:SER75	4.8	36.6	1.0
	CB	B:SER75	4.8	33.3	1.0
	O	B:HOH521	4.9	32.8	1.0
	NH2	B:ARG73	4.9	52.8	1.0
	CD	B:ARG73	4.9	50.9	1.0

Reference:

N.Numoto, N.Kamiya, M.Oda. Improvement of Thermostability and Activity of Pet-Degrading Enzyme CUT190 Towards A Detailed Understanding and Application of the Enzymatic Reaction Mechanism. Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.02.26.529345

Page generated: Sun Jul 13 12:12:47 2025

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