Atomistry » Chlorine » PDB 6pj3-6prc » 6plb
Atomistry »
  Chlorine »
    PDB 6pj3-6prc »
      6plb »

Chlorine in PDB 6plb: Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl

Enzymatic activity of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl

All present enzymatic activity of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl:
3.2.1.17;

Protein crystallography data

The structure of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl, PDB code: 6plb 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) 39.20 / 1.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.338, 78.338, 37.833, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 19

Other elements in 6plb:

The structure of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl also contains other interesting chemical elements:

Sodium (Na) 1 atom
Iridium (Ir) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl (pdb code 6plb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl, PDB code: 6plb:

Chlorine binding site 1 out of 1 in 6plb

Go back to Chlorine Binding Sites List in 6plb
Chlorine binding site 1 out of 1 in the Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Adducts Formed After 1 Month in the Reaction of Dichlorido(1,3- Dimethylbenzimida Zol-2-Ylidene)(ETA5-Pentamethylcyclopentadienyl) Iridium(III) with Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:36.1
occ:0.50
 CL1 A:OT1201 0.0 36.1 0.5
IR A:OT1201 2.4 25.0 0.5
O A:ASP101 2.7 38.1 1.0
OD2 A:ASP101 2.8 31.3 1.0
C1 A:OT1201 3.1 22.3 0.5
C16 A:OT1201 3.4 27.0 0.5
CG A:ASP101 3.5 34.8 1.0
C17 A:OT1201 3.5 29.2 0.5
C3 A:OT1201 3.5 25.0 0.5
N2 A:OT1201 3.5 24.0 0.5
C18 A:OT1201 3.5 27.6 0.5
C A:ASP101 3.6 29.7 1.0
C19 A:OT1201 4.0 29.5 0.5
OD1 A:ASP101 4.0 43.5 1.0
C14 A:OT1201 4.0 27.2 0.5
CA A:GLY102 4.1 22.7 1.0
N1 A:OT1201 4.2 22.7 0.5
N A:GLY102 4.2 24.8 1.0
C10 A:OT1201 4.3 27.7 0.5
CB A:ASP101 4.3 31.6 1.0
OD1 A:ASN103 4.4 35.1 1.0
C12 A:OT1201 4.5 26.7 0.5
CA A:ASP101 4.6 28.3 1.0
C4 A:OT1201 4.7 23.8 0.5
N A:ASN103 4.8 19.8 1.0
C15 A:OT1201 4.8 30.0 0.5
C2 A:OT1201 4.9 23.2 0.5
C A:GLY102 4.9 21.4 1.0
C5 A:OT1201 5.0 22.2 0.5

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: Mon Jul 29 13:23:59 2024

Last articles

Ca in 5MQR
Ca in 5MQS
Ca in 5MS3
Ca in 5MQM
Ca in 5MQN
Ca in 5MPY
Ca in 5MOR
Ca in 5MOS
Ca in 5MOQ
Ca in 5MOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy