Sodium in PDB 6wx5: Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl

Enzymatic activity of Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl

All present enzymatic activity of Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl:
3.2.1.17;

Protein crystallography data

The structure of Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl, PDB code: 6wx5 was solved by M.P.Sullivan, C.G.Hartinger, D.C.Goldstone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	34.61 / 1.30
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	77.329, 77.329, 38.606, 90, 90, 90
*R / R_free (%)*	17.4 / 20.2

Other elements in 6wx5:

Platinum

(Pt)

1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl (pdb code 6wx5). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl, PDB code: 6wx5:

Sodium binding site 1 out of 1 in 6wx5

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Sodium Binding Sites List in 6wx5

Sodium binding site 1 out of 1 in the Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Adducts Formed After 3 Weeks in the Reaction of Chlorido[Chlorido(2, 2'-((2-([2,2':6',2''-Terpyridin]-4'-Yloxy)Ethyl)Azanediyl)Bis(Ethan- 1-Ol))Platinum(II)] with Hewl within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na201 b:16.3 occ:1.00	O	A:SER60	2.3	16.6	1.0
	O	A:HOH375	2.4	21.2	1.0
	OG	A:SER72	2.4	21.1	1.0
	O	A:CYS64	2.4	15.8	1.0
	O	A:ARG73	2.5	18.4	1.0
	O	A:ACT202	2.8	18.2	1.0
	CB	A:SER72	3.4	21.7	1.0
	C	A:SER60	3.4	12.5	1.0
	C	A:CYS64	3.5	13.5	1.0
	C	A:ARG73	3.5	19.6	1.0
	C	A:ACT202	3.7	18.4	1.0
	CH3	A:ACT202	3.9	19.2	1.0
	N	A:ARG73	3.9	25.0	1.0
	CA	A:ASN65	4.0	13.3	1.0
	CA	A:SER60	4.0	13.0	1.0
	N	A:ASN65	4.1	13.2	1.0
	C	A:SER72	4.1	23.5	1.0
	CB	A:SER60	4.2	12.2	1.0
	N	A:CYS64	4.3	13.5	1.0
	CA	A:ARG73	4.3	23.0	1.0
	N	A:ASN74	4.3	17.3	1.0
	CA	A:SER72	4.4	22.6	1.0
	C	A:ARG61	4.5	15.0	1.0
	N	A:ARG61	4.5	14.1	1.0
	O	A:HOH378	4.5	34.8	1.0
	CA	A:ASN74	4.5	17.0	1.0
	O	A:ARG61	4.5	17.7	1.0
	CA	A:CYS64	4.5	12.7	1.0
	CB	A:THR69	4.6	15.8	1.0
	O	A:SER72	4.7	25.7	1.0
	CB	A:ASN74	4.7	17.6	1.0
	O	A:THR69	4.7	20.3	1.0
	N	A:TRP62	4.8	14.6	1.0
	CA	A:ARG61	4.8	14.9	0.4
	CA	A:ARG61	4.8	15.3	0.6
	OXT	A:ACT202	4.9	20.5	1.0
	CB	A:ASN65	4.9	15.7	1.0
	CG2	A:THR69	4.9	17.7	1.0
	N	A:TRP63	4.9	13.7	1.0
	N	A:ASP66	5.0	13.1	1.0
	C	A:TRP62	5.0	14.1	1.0

Reference:

M.Adams, M.P.Sullivan, K.K.H.Tong, D.C.Goldstone, M.Hanif, S.M.F.Jamieson, C.G.Hartinger. Mustards-Derived Terpyridine-Platinum Complexes As Anticancer Agents: Dna Alkylation Vs Coordination. Inorg.Chem. 2021.
ISSN: ISSN 0020-1669
PubMed: 33497565
DOI: 10.1021/ACS.INORGCHEM.0C03317

Page generated: Tue Oct 8 14:42:56 2024

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