Atomistry » Chlorine » PDB 5nry-5nym » 5nx5
Atomistry »
  Chlorine »
    PDB 5nry-5nym »
      5nx5 »

Chlorine in PDB 5nx5: Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate

Enzymatic activity of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate

All present enzymatic activity of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate:
4.2.3.7;

Protein crystallography data

The structure of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate, PDB code: 5nx5 was solved by V.Karuppiah, D.Leys, N.S.Scrutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.84 / 1.82
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 139.370, 139.370, 86.060, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 18.9

Other elements in 5nx5:

The structure of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate also contains other interesting chemical elements:

Fluorine (F) 1 atom
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate (pdb code 5nx5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate, PDB code: 5nx5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5nx5

Go back to Chlorine Binding Sites List in 5nx5
Chlorine binding site 1 out of 2 in the Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:52.1
occ:1.00
 NH1 A:ARG196 2.9 50.9 1.0
O A:HOH668 2.9 49.6 1.0
N A:ARG196 3.2 31.5 1.0
CG A:ARG196 3.4 38.5 1.0
N A:ARG195 3.5 33.7 1.0
CD A:ARG196 3.6 40.9 1.0
CB A:ARG196 3.7 38.9 1.0
CB A:ARG195 3.9 37.0 1.0
CZ A:ARG196 4.0 53.3 1.0
CA A:ARG195 4.0 31.9 1.0
CA A:ARG196 4.1 35.1 1.0
C A:ARG195 4.1 31.5 1.0
C A:PRO194 4.2 32.0 1.0
NE A:ARG196 4.2 47.5 1.0
CB A:PRO194 4.2 33.9 1.0
CA A:PRO194 4.5 30.7 1.0
O2 B:GOL404 4.6 84.5 1.0
CG A:ARG195 4.7 46.3 1.0
O A:PRO194 4.9 29.2 1.0

Chlorine binding site 2 out of 2 in 5nx5

Go back to Chlorine Binding Sites List in 5nx5
Chlorine binding site 2 out of 2 in the Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Linalool/Nerolidol Synthase From Streptomyces Clavuligerus in Complex with 2-Fluorogeranyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:54.3
occ:1.00
 NH1 B:ARG196 2.8 80.2 1.0
O B:HOH613 2.9 48.0 1.0
N B:ARG196 3.3 34.6 1.0
CG B:ARG196 3.5 43.9 1.0
CD B:ARG196 3.6 58.1 1.0
N B:ARG195 3.6 32.7 1.0
CB B:ARG196 3.8 40.3 1.0
CB B:ARG195 3.8 45.0 1.0
CZ B:ARG196 3.9 78.9 1.0
CA B:ARG195 4.0 36.2 1.0
CA B:ARG196 4.1 36.7 1.0
C B:ARG195 4.1 33.9 1.0
NE B:ARG196 4.2 71.9 1.0
O2 A:GOL405 4.2 68.0 1.0
C B:PRO194 4.3 31.7 1.0
CB B:PRO194 4.3 34.1 1.0
CA B:PRO194 4.7 31.3 1.0
CG B:ARG195 4.7 55.2 1.0

Reference:

V.Karuppiah, K.E.Ranaghan, N.G.H.Leferink, L.O.Johannissen, M.Shanmugam, A.Ni Cheallaigh, N.J.Bennett, L.J.Kearsey, E.Takano, J.M.Gardiner, M.W.Van Der Kamp, S.Hay, A.J.Mulholland, D.Leys, N.S.Scrutton. Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase. Acs Catal V. 7 6268 2017.
ISSN: ESSN 2155-5435
PubMed: 28966840
DOI: 10.1021/ACSCATAL.7B01924
Page generated: Fri Jul 26 13:55:54 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy