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Sodium in PDB 6wgo: The Interaction of Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week

Enzymatic activity of The Interaction of Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week

All present enzymatic activity of The Interaction of Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week:
3.2.1.17;

Protein crystallography data

The structure of The Interaction of Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week, PDB code: 6wgo 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) 35.04 / 1.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.305, 78.305, 38.025, 90, 90, 90
R / Rfree (%) 15.1 / 19.2

Other elements in 6wgo:

The structure of The Interaction of Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week also contains other interesting chemical elements:

Ruthenium (Ru) 1 atom
Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the The Interaction of Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week (pdb code 6wgo). 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 Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week, PDB code: 6wgo:

Sodium binding site 1 out of 1 in 6wgo

Go back to Sodium Binding Sites List in 6wgo
Sodium binding site 1 out of 1 in the The Interaction of Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week


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 Dichlorido(3-(Anthracen-9-Ylmethyl)-1- Methylimidazol-2-Ylidene)(ETA6-P-Cymene)Ruthenium(II) with Hewl After 1 Week within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na201

b:20.2
occ:1.00
 O A:SER60 2.3 17.7 1.0
O A:HOH307 2.4 25.8 1.0
O A:ARG73 2.4 23.9 1.0
O A:CYS64 2.4 17.8 1.0
OG A:SER72 2.5 24.4 1.0
CH3 A:ACT203 2.7 17.5 1.0
CB A:SER72 3.3 22.4 1.0
C A:ARG73 3.5 23.6 1.0
C A:SER60 3.5 16.4 1.0
C A:CYS64 3.5 16.6 1.0
C A:ACT203 3.6 27.6 1.0
OXT A:ACT203 3.6 34.7 1.0
N A:ARG73 4.0 24.2 1.0
CA A:ASN65 4.0 17.4 1.0
CA A:SER60 4.1 14.8 1.0
C A:SER72 4.1 26.9 1.0
N A:ASN65 4.1 16.1 1.0
CB A:SER60 4.3 15.0 1.0
CA A:SER72 4.3 27.0 1.0
N A:ASN74 4.3 23.2 1.0
CA A:ARG73 4.4 24.1 1.0
N A:CYS64 4.4 15.9 1.0
CA A:ASN74 4.5 21.2 1.0
C A:ARG61 4.6 20.1 1.0
N A:ARG61 4.6 18.6 1.0
CA A:CYS64 4.6 15.8 1.0
O A:ARG61 4.6 22.2 1.0
O A:SER72 4.7 29.2 1.0
CB A:THR69 4.7 18.7 1.0
CB A:ASN74 4.7 19.3 1.0
O A:ACT203 4.8 31.9 1.0
N A:TRP62 4.8 19.0 1.0
O A:THR69 4.8 24.7 1.0
N A:ASP66 4.9 17.0 1.0
CA A:ARG61 4.9 19.9 1.0
OD1 A:ASN65 4.9 29.4 1.0
CB A:ASN65 4.9 18.2 1.0
C A:ASN65 5.0 16.7 1.0

Reference:

B.Y.T.Lee, M.P.Sullivan, E.Yano, K.K.H.Tong, M.Hanif, T.Kawakubo-Yasukochi, S.M.F.Jamieson, T.Soehnel, D.C.Goldstone, C.G.Hartinger. Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: in Vitro Anticancer Activity and Reactions with Biomolecules. Inorg.Chem. 2021.
ISSN: ISSN 0020-1669
PubMed: 34528438
DOI: 10.1021/ACS.INORGCHEM.1C01675
Page generated: Tue Oct 8 14:34:32 2024

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