Atomistry » Chlorine » PDB 6w7p-6wji » 6wgo
Atomistry »
  Chlorine »
    PDB 6w7p-6wji »
      6wgo »

Chlorine 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:

Sodium (Na) 1 atom
Ruthenium (Ru) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where 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:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6wgo

Go back to Chlorine Binding Sites List in 6wgo
Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl204

b:34.9
occ:0.80
 CL37 A:U0J204 0.0 34.9 0.8
RU39 A:U0J204 2.4 22.5 0.8
OD1 A:ASP119 3.1 26.4 1.0
CL38 A:U0J204 3.1 45.1 0.8
C43 A:U0J204 3.3 19.9 0.8
OD2 A:ASP119 3.5 27.4 1.0
C09 A:U0J204 3.5 21.9 0.8
O A:HOH322 3.6 26.8 0.8
CG A:ASP119 3.6 24.7 1.0
N36 A:U0J204 3.7 22.6 0.8
CB A:GLN121 4.1 26.1 1.0
O A:HOH372 4.2 30.4 1.0
N35 A:U0J204 4.2 20.2 0.8
C32 A:U0J204 4.3 25.3 0.8
O A:HOH311 4.4 34.9 0.8
CG A:GLN121 4.7 33.3 1.0
C12 A:U0J204 4.8 22.4 0.8
C03 A:U0J204 4.8 22.1 0.8
C05 A:U0J204 4.8 20.4 0.8
C34 A:U0J204 5.0 22.6 0.8

Chlorine binding site 2 out of 2 in 6wgo

Go back to Chlorine Binding Sites List in 6wgo
Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl204

b:45.1
occ:0.80
 CL38 A:U0J204 0.0 45.1 0.8
RU39 A:U0J204 2.4 22.5 0.8
CL37 A:U0J204 3.1 34.9 0.8
C05 A:U0J204 3.1 20.4 0.8
OD1 A:ASP119 3.2 26.4 1.0
OD2 A:ASP119 3.3 27.4 1.0
O A:HOH311 3.3 34.9 0.8
C43 A:U0J204 3.5 19.9 0.8
CG A:ASP119 3.5 24.7 1.0
N35 A:U0J204 3.6 20.2 0.8
CB A:GLN121 3.7 26.1 1.0
N A:ALA122 3.8 19.9 1.0
CG A:GLN121 4.0 33.3 1.0
C A:GLN121 4.1 20.3 1.0
CA A:ALA122 4.2 18.8 1.0
O A:HOH322 4.4 26.8 0.8
CA A:GLN121 4.4 21.1 1.0
CB A:ALA122 4.5 22.3 1.0
O A:GLN121 4.6 21.7 1.0
N36 A:U0J204 4.7 22.6 0.8
C01 A:U0J204 4.9 21.2 0.8
CB A:ASP119 5.0 20.1 1.0
N A:GLN121 5.0 19.2 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: Mon Jul 29 16:43:53 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy