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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: Sat Dec 12 12:10:46 2020

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