Atomistry » Osmium » PDB 1hc8-8ax2 » 6pla
Atomistry »
  Osmium »
    PDB 1hc8-8ax2 »
      6pla »

Osmium in PDB 6pla: Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl

Enzymatic activity of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl

All present enzymatic activity of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl:
3.2.1.17;

Protein crystallography data

The structure of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl, PDB code: 6pla 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) 34.21 / 1.25
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.448, 76.448, 37.763, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 18.4

Other elements in 6pla:

The structure of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms
Sodium (Na) 1 atom

Osmium Binding Sites:

The binding sites of Osmium atom in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl (pdb code 6pla). This binding sites where shown within 5.0 Angstroms radius around Osmium atom.
In total 3 binding sites of Osmium where determined in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl, PDB code: 6pla:
Jump to Osmium binding site number: 1; 2; 3;

Osmium binding site 1 out of 3 in 6pla

Go back to Osmium Binding Sites List in 6pla
Osmium binding site 1 out of 3 in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl


Mono view


Stereo pair view

A full contact list of Osmium with other atoms in the Os binding site number 1 of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Os202

b:16.1
occ:0.80
 OS A:O1N202 0.0 16.1 0.8
C1 A:O1N202 2.1 17.2 0.8
ND2 A:ASN103 2.1 16.4 1.0
C10 A:O1N202 2.2 18.3 0.8
C14 A:O1N202 2.2 16.8 0.8
C13 A:O1N202 2.2 17.8 0.8
C11 A:O1N202 2.2 19.7 0.8
C19 A:O1N202 2.2 17.4 0.8
C15 A:O1N202 2.3 18.3 0.8
CL1 A:O1N202 2.4 33.6 0.8
N1 A:O1N202 3.1 16.2 0.8
N2 A:O1N202 3.1 15.6 0.8
CG A:ASN103 3.1 17.7 1.0
C16 A:O1N202 3.4 20.7 0.8
C12 A:O1N202 3.5 24.8 0.8
OD1 A:ASN103 3.5 19.6 1.0
C2 A:O1N202 3.5 15.4 0.8
C5 A:O1N202 3.5 18.4 0.8
C17 A:O1N202 4.0 21.7 0.8
C3 A:O1N202 4.3 17.9 0.8
C4 A:O1N202 4.3 17.9 0.8
CB A:ASN103 4.4 15.8 1.0
OD2 A:ASP101 4.5 17.4 1.0
C18 A:O1N202 4.7 25.1 0.8
OD1 A:ASP101 4.8 16.8 1.0
CG A:ASP101 5.0 17.3 1.0

Osmium binding site 2 out of 3 in 6pla

Go back to Osmium Binding Sites List in 6pla
Osmium binding site 2 out of 3 in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl


Mono view


Stereo pair view

A full contact list of Osmium with other atoms in the Os binding site number 2 of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Os203

b:28.5
occ:0.60
 OS A:O1N203 0.0 28.5 0.6
C1 A:O1N203 2.1 24.3 0.6
C10 A:O1N203 2.2 31.6 0.6
C14 A:O1N203 2.2 29.6 0.6
C13 A:O1N203 2.2 30.2 0.6
C11 A:O1N203 2.2 31.8 0.6
C19 A:O1N203 2.2 30.0 0.6
C15 A:O1N203 2.3 29.6 0.6
CL1 A:O1N203 2.4 40.9 0.6
CL2 A:O1N203 2.4 39.9 0.6
N2 A:O1N203 3.1 23.6 0.6
N1 A:O1N203 3.1 18.6 0.6
C12 A:O1N203 3.4 36.4 0.6
C16 A:O1N203 3.5 35.2 0.6
C2 A:O1N203 3.6 19.7 0.6
C5 A:O1N203 3.6 25.8 0.6
C18 A:O1N203 3.8 36.5 0.6
C3 A:O1N203 4.3 20.2 0.6
C4 A:O1N203 4.3 21.0 0.6
C17 A:O1N203 4.6 38.5 0.6

Osmium binding site 3 out of 3 in 6pla

Go back to Osmium Binding Sites List in 6pla
Osmium binding site 3 out of 3 in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl


Mono view


Stereo pair view

A full contact list of Osmium with other atoms in the Os binding site number 3 of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimidazol-2-Ylidene)(ETA6-P-Cymene)Osmium(II) with Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Os204

b:27.1
occ:0.25
 OD2 A:ASP18 2.3 34.6 1.0
CG A:ASP18 3.1 30.2 1.0
OD1 A:ASP18 3.4 30.6 1.0
CB A:ASP18 4.5 25.9 1.0
OD1 A:ASN19 4.8 39.5 1.0
NZ A:LYS13 4.8 34.3 1.0
CD1 A:ILE124 4.8 27.6 1.0
CB A:LEU25 4.9 15.0 1.0

Reference:

M.P.Sullivan, D.C.Goldstone, C.G.Hartinger. Linking Biological Activity to Chemical Properties: Structure-(Re)Activity Relationships of Anticancer N-Heterocyclic Carbene Organometallics To Be Published.
Page generated: Wed Dec 16 02:01:41 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy