Sodium in PDB 6wrm: The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month

Enzymatic activity of The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month

All present enzymatic activity of The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month:
3.2.1.17;

Protein crystallography data

The structure of The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month, PDB code: 6wrm was solved by M.P.Sullivan, M.John, 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)*	40.51 / 1.55
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	80.952, 80.952, 35.824, 90.00, 90.00, 90.00
*R / R_free (%)*	20.4 / 24.9

Other elements in 6wrm:

Rhodium	(Rh)	3 atoms
Chlorine	(Cl)	2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month (pdb code 6wrm). 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 The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month, PDB code: 6wrm:

Sodium binding site 1 out of 1 in 6wrm

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Sodium Binding Sites List in 6wrm

Sodium binding site 1 out of 1 in the The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Interaction of Chlorido(1,5-Cyclooctadiene)([4-(2-((Tert- Butoxycarbonyl)Amino)-3-Methoxy-3-Oxopropyl)-1,3-Dimethyl-1H- Imidazol-3-Ide])Rhodium(I) with Hewl After 1 Month within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na201 b:31.4 occ:1.00	OG	A:SER72	2.2	33.2	1.0
	O	A:SER60	2.3	23.7	1.0
	O	A:HOH363	2.4	36.0	1.0
	O	A:HOH361	2.4	21.7	1.0
	O	A:CYS64	2.5	20.6	1.0
	O	A:ARG73	2.5	37.1	1.0
	CB	A:SER72	3.2	33.8	1.0
	C	A:SER60	3.5	22.3	1.0
	C	A:CYS64	3.5	20.9	1.0
	C	A:ARG73	3.6	35.2	1.0
	CA	A:ASN65	3.9	21.2	1.0
	N	A:ARG73	4.0	34.3	1.0
	C	A:SER72	4.1	35.5	1.0
	N	A:ASN65	4.1	22.8	1.0
	CA	A:SER60	4.1	19.5	1.0
	CA	A:SER72	4.2	37.6	1.0
	O	A:ARG61	4.2	29.1	1.0
	CB	A:SER60	4.3	17.2	1.0
	CL	A:CL202	4.3	51.1	1.0
	C	A:ARG61	4.4	28.1	1.0
	N	A:ASN74	4.4	28.2	1.0
	CA	A:ARG73	4.5	35.3	1.0
	N	A:ARG61	4.5	22.4	1.0
	O	A:SER72	4.5	38.6	1.0
	CB	A:THR69	4.6	21.6	1.0
	CA	A:ASN74	4.6	28.7	1.0
	N	A:CYS64	4.6	22.9	1.0
	CA	A:ARG61	4.7	27.7	1.0
	N	A:ASP66	4.7	20.7	1.0
	O	A:HOH380	4.7	41.2	1.0
	CB	A:ASN74	4.7	29.1	1.0
	CA	A:CYS64	4.7	21.4	1.0
	OD1	A:ASN65	4.7	28.6	1.0
	C	A:ASN65	4.8	19.7	1.0
	CB	A:ASN65	4.8	23.8	1.0
	N	A:TRP62	4.9	25.3	1.0
	O	A:THR69	4.9	26.9	1.0

Reference:

I.M.Daubit, M.P.Sullivan, M.John, D.C.Goldstone, C.G.Hartinger, N.Metzler-Nolte. A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (Nhc) Complexes at the Molecular Level. Inorg.Chem. V. 59 17191 2020.
ISSN: ISSN 0020-1669
PubMed: 33180473
DOI: 10.1021/ACS.INORGCHEM.0C02438

Page generated: Tue Oct 8 14:42:00 2024

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