Chlorine in PDB 4yeo: Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement

Enzymatic activity of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement

All present enzymatic activity of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement:
3.2.1.17;

Protein crystallography data

The structure of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement, PDB code: 4yeo was solved by I.G.Shabalin, Z.Dauter, M.Jaskolski, W.Minor, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.26 / 0.98
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	26.998, 31.807, 34.072, 89.08, 72.00, 67.81
*R / R_free (%)*	11.2 / 13.1

Other elements in 4yeo:

The structure of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement also contains other interesting chemical elements:

Platinum

(Pt)

5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement (pdb code 4yeo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement, PDB code: 4yeo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4yeo

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Chlorine Binding Sites List in 4yeo

Chlorine binding site 1 out of 2 in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl201 b:7.7 occ:0.25	CL2	A:CPT201	0.0	7.7	0.2
	O	A:HOH429	2.2	11.0	0.8
	PT1	A:CPT201	2.3	5.8	0.2
	O	A:HOH497	2.9	21.7	1.0
	CL1	A:CPT201	3.3	7.6	0.2
	NE2	A:HIS15	3.3	18.0	0.6
	CD2	A:HIS15	3.8	15.7	0.6
	O	A:ARG14	4.0	9.6	1.0
	CD2	A:HIS15	4.0	15.3	0.4
	CE1	A:HIS15	4.0	19.4	0.6
	O	A:HOH408	4.0	15.9	1.0
	O	A:HOH430	4.1	10.7	0.8
	O	A:HOH451	4.1	12.3	0.5
	CB	A:ARG14	4.1	8.8	1.0
	NE2	A:HIS15	4.1	16.8	0.4
	N1	A:CPT201	4.3	7.4	0.2
	O	A:HOH451	4.4	12.0	0.5
	CD	A:ARG14	4.5	11.2	1.0
	C	A:ARG14	4.5	7.8	1.0
	CG	A:HIS15	4.6	15.9	0.6
	PT	A:PT202	4.7	12.7	0.2
	ND1	A:HIS15	4.7	17.6	0.6
	CG	A:ARG14	4.9	9.8	1.0
	NE	A:ARG14	4.9	11.6	1.0
	CG	A:HIS15	5.0	15.3	0.4
	CA	A:ARG14	5.0	7.7	1.0

Chlorine binding site 2 out of 2 in 4yeo

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Chlorine Binding Sites List in 4yeo

Chlorine binding site 2 out of 2 in the Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Triclinic Hewl Co-Crystallised with Cisplatin, Studied at A Data Collection Temperature of 150K - New Refinement within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl201 b:7.6 occ:0.25	CL1	A:CPT201	0.0	7.6	0.2
	PT1	A:CPT201	2.3	5.8	0.2
	O	A:HOH429	2.6	11.0	0.8
	N1	A:CPT201	3.1	7.4	0.2
	CL2	A:CPT201	3.3	7.7	0.2
	PT	A:PT202	3.3	12.7	0.2
	NE	A:ARG14	3.7	11.6	1.0
	CD	A:ARG14	4.0	11.2	1.0
	NE2	A:HIS15	4.2	18.0	0.6
	O	A:HOH451	4.4	12.0	0.5
	NE2	A:HIS15	4.6	16.8	0.4
	O	A:HOH497	4.6	21.7	1.0
	CZ	A:ARG14	4.7	11.3	1.0
	O	A:HOH446	4.9	31.2	1.0
	NH2	A:ARG14	5.0	13.1	1.0

Reference:

I.G.Shabalin, Z.Dauter, M.Jaskolski, W.Minor, A.Wlodawer. Crystallography and Chemistry Should Always Go Together: A Cautionary Tale of Protein Complexes with Cisplatin and Carboplatin To Be Published.

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