Atomistry » Chlorine » PDB 4g7y-4geg » 4gbu
Atomistry »
  Chlorine »
    PDB 4g7y-4geg »
      4gbu »

Chlorine in PDB 4gbu: OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation

Enzymatic activity of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation

All present enzymatic activity of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation:
1.6.99.1;

Protein crystallography data

The structure of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation, PDB code: 4gbu was solved by Y.A.Pompeu, J.D.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.04 / 1.18
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 141.121, 141.121, 42.813, 90.00, 90.00, 90.00
R / Rfree (%) 10 / 12.1

Other elements in 4gbu:

The structure of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Sodium (Na) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation (pdb code 4gbu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation, PDB code: 4gbu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4gbu

Go back to Chlorine Binding Sites List in 4gbu
Chlorine binding site 1 out of 2 in the OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:17.4
occ:1.00
ND2 A:ASN126 3.2 11.8 1.0
O A:HOH591 3.3 11.8 1.0
N A:ASP83 3.3 8.7 1.0
CD2 A:PHE123 3.8 14.2 1.0
CA A:TYR82 3.8 8.4 1.0
CE2 A:PHE123 3.9 17.4 1.0
C A:TYR82 4.0 7.9 1.0
CB A:ASP83 4.1 10.8 1.0
CA A:ASP83 4.3 8.8 1.0
CG A:ASP83 4.3 12.9 1.0
OD2 A:ASP83 4.4 17.3 1.0
CG A:ASN126 4.4 12.0 1.0
O A:GLY81 4.4 9.4 1.0
CB A:TYR82 4.4 8.7 1.0
O A:HOH690 4.5 21.6 1.0
OH6 A:1PE410 4.5 29.8 0.9
OD1 A:ASN126 4.8 14.6 1.0
CD1 A:TYR82 4.8 9.1 1.0
N A:ASN84 4.9 7.8 1.0
C15 A:1PE410 4.9 25.4 0.9
N A:TYR82 4.9 7.8 1.0
OD1 A:ASP83 5.0 14.2 1.0

Chlorine binding site 2 out of 2 in 4gbu

Go back to Chlorine Binding Sites List in 4gbu
Chlorine binding site 2 out of 2 in the OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of OYE1-W116A in Complex with Aromatic Product of S-Carvone Dismutation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:31.7
occ:0.81
CD A:LYS368 2.9 19.0 0.4
NZ A:LYS368 3.1 23.2 0.4
N A:LYS4 3.2 17.3 1.0
O A:HOH1086 3.2 28.5 1.0
O A:HOH1064 3.3 36.1 0.9
CE A:LYS368 3.4 21.5 0.4
CG A:LYS368 3.4 14.9 0.4
CA A:VAL3 3.7 11.6 1.0
CB A:LYS4 3.9 25.5 1.0
C A:VAL3 3.9 14.6 1.0
CD A:LYS368 4.1 15.4 0.6
CA A:LYS4 4.1 23.1 1.0
CG A:LYS4 4.2 33.4 1.0
CG1 A:VAL3 4.2 13.3 1.0
O A:PHE2 4.3 13.6 1.0
CG A:LYS368 4.4 13.2 0.6
CB A:VAL3 4.5 12.3 1.0
CE A:LYS368 4.5 18.7 0.6
N A:VAL3 4.7 11.4 1.0
CB A:LYS368 4.8 11.4 0.6
CB A:LYS368 4.8 12.6 0.4
C A:PHE2 4.9 11.7 1.0
CG2 A:VAL3 4.9 12.1 1.0

Reference:

Y.A.Pompeu, B.Sullivan, J.D.Stewart. X‑Ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in An Alkene Reductase Acs Catalysis V. 3 2376 2013.
ISSN: ESSN 2155-5435
DOI: 10.1021/CS400622E
Page generated: Sat Dec 12 10:39:07 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