Chlorine in PDB 5hq1: Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted.

Enzymatic activity of Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted.

All present enzymatic activity of Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted.:
3.2.1.17;

Protein crystallography data

The structure of Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted., PDB code: 5hq1 was solved by J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	32.09 / 1.00
*Space group*	P 1
*Cell size a, b, c (Å), α, β, γ (°)*	26.777, 31.382, 33.865, 88.90, 72.31, 68.46
*R / R_free (%)*	17.2 / 19.7

Other elements in 5hq1:

The structure of Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted. also contains other interesting chemical elements:

Platinum

(Pt)

4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted. (pdb code 5hq1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted., PDB code: 5hq1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5hq1

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Chlorine Binding Sites List in 5hq1

Chlorine binding site 1 out of 3 in the Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl202 b:14.1 occ:0.54	O	A:HOH357	2.7	21.9	1.0
	O	A:THR69	2.8	9.0	1.0
	N	A:THR69	2.8	10.3	1.0
	O	A:HOH335	2.8	8.6	1.0
	N	A:ARG68	3.2	11.6	1.0
	C	A:GLY67	3.3	16.4	1.0
	CB	A:SER72	3.4	9.5	1.0
	CA	A:THR69	3.4	9.3	1.0
	C	A:THR69	3.5	8.3	1.0
	N	A:GLY67	3.6	11.2	1.0
	CB	A:THR69	3.6	8.5	1.0
	CA	A:GLY67	3.6	15.2	1.0
	OD1	A:ASN65	3.7	11.7	1.0
	C	A:ARG68	3.8	11.3	1.0
	OG	A:SER72	3.9	11.8	1.0
	OD1	A:ASP66	3.9	8.2	1.0
	O	A:GLY67	4.0	26.7	1.0
	CA	A:ARG68	4.0	13.4	1.0
	OG1	A:THR69	4.3	8.1	1.0
	C	A:ASP66	4.6	9.8	1.0
	O	A:HOH364	4.6	27.1	1.0
	N	A:ASP66	4.6	7.2	1.0
	CA	A:SER72	4.7	8.7	1.0
	N	A:PRO70	4.8	8.9	1.0
	CG2	A:THR69	4.8	7.6	1.0
	CG	A:ASN65	4.8	11.8	1.0
	O	A:ARG68	4.8	14.6	1.0
	N	A:SER72	4.9	9.0	1.0
	O	A:SER60	5.0	7.0	1.0

Chlorine binding site 2 out of 3 in 5hq1

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Chlorine Binding Sites List in 5hq1

Chlorine binding site 2 out of 3 in the Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl209 b:11.2 occ:0.29	PT	A:PT208	2.2	11.8	0.3
	CL	A:CL212	3.2	13.5	0.3
	ND1	A:HIS15	4.2	32.0	1.0
	OD1	A:ASN93	4.4	30.3	1.0
	NZ	A:LYS96	4.7	18.2	1.0
	CE1	A:HIS15	5.0	30.8	1.0

Chlorine binding site 3 out of 3 in 5hq1

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Chlorine Binding Sites List in 5hq1

Chlorine binding site 3 out of 3 in the Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted.

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Comment on S. W. M. Tanley and J. R. Helliwell Structural Dynamics of Cisplatin Binding to Histidine in A Protein Struct. Dyn. 1, 034701 (2014) Regarding the Refinement of 4MWK, 4MWM, 4MWN and 4OXE and the Method We Have Adopted. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl212 b:13.5 occ:0.29	PT	A:PT208	2.3	11.8	0.3
	OD1	A:ASN93	2.3	30.3	1.0
	CL	A:CL209	3.2	11.2	0.3
	CG	A:ASN93	3.4	17.9	1.0
	NZ	A:LYS96	3.4	18.2	1.0
	ND1	A:HIS15	3.6	32.0	1.0
	O	A:HIS15	3.7	20.9	1.0
	CG1	A:VAL92	3.7	11.3	1.0
	CB	A:HIS15	3.7	18.2	1.0
	CE	A:LYS96	4.0	15.4	1.0
	CG	A:HIS15	4.0	31.1	1.0
	ND2	A:ASN93	4.1	19.6	1.0
	N	A:ASN93	4.3	8.0	1.0
	CA	A:HIS15	4.4	19.1	1.0
	CB	A:VAL92	4.4	9.6	1.0
	CA	A:ASN93	4.4	9.0	1.0
	CD	A:LYS96	4.5	12.4	1.0
	C	A:HIS15	4.5	16.0	1.0
	CB	A:ASN93	4.5	11.7	1.0
	O	A:THR89	4.6	8.4	1.0
	CE1	A:HIS15	4.7	30.8	1.0
	CG2	A:THR89	4.7	11.2	1.0
	C	A:VAL92	4.7	7.5	1.0

Reference:

S.W.Tanley, J.R.Helliwell. Comment on "Structural Dynamics of Cisplatin Binding to Histidine in A Protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn V. 3 37101 2016.
ISSN: ESSN 2329-7778
PubMed: 27226979
DOI: 10.1063/1.4948613

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