Atomistry » Chlorine » PDB 5i1t-5ibn » 5i3t
Atomistry »
  Chlorine »
    PDB 5i1t-5ibn »
      5i3t »

Chlorine in PDB 5i3t: Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans

Enzymatic activity of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans

All present enzymatic activity of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans:
4.2.1.127; 5.4.4.4;

Protein crystallography data

The structure of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans, PDB code: 5i3t was solved by J.W.Lamattina, M.Carlock, D.J.Koch, W.N.Lanzilotta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.19 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 102.957, 106.757, 188.872, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 20.5

Other elements in 5i3t:

The structure of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans also contains other interesting chemical elements:

Potassium (K) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans (pdb code 5i3t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans, PDB code: 5i3t:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5i3t

Go back to Chlorine Binding Sites List in 5i3t
Chlorine binding site 1 out of 6 in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:56.6
occ:1.00
OD2 A:ASP373 3.9 32.6 1.0
CG A:ASP373 4.0 32.6 1.0
CB A:ASP373 4.1 28.2 1.0
O A:LEU362 4.2 29.5 1.0
N A:TYR364 4.3 29.3 1.0
CZ A:TYR63 4.3 29.8 1.0
CE2 A:TYR63 4.3 25.6 1.0
CA A:ARG363 4.4 33.5 1.0
CE1 A:TYR63 4.4 29.4 1.0
CD2 A:TYR63 4.4 26.6 1.0
O A:HOH630 4.5 32.7 1.0
CD1 A:TYR63 4.5 26.5 1.0
CG A:TYR63 4.5 29.0 1.0
OD1 A:ASP373 4.6 33.6 1.0
CD2 A:TYR364 4.6 29.0 1.0
OH A:TYR63 4.8 28.4 1.0
C A:ARG363 4.8 33.1 1.0

Chlorine binding site 2 out of 6 in 5i3t

Go back to Chlorine Binding Sites List in 5i3t
Chlorine binding site 2 out of 6 in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:51.5
occ:1.00
O B:HOH703 2.3 37.5 1.0
N B:TYR364 3.9 26.4 1.0
OD2 B:ASP373 4.0 31.2 1.0
CB B:ASP373 4.1 28.2 1.0
CG B:ASP373 4.1 33.7 1.0
CA B:ARG363 4.2 36.3 1.0
CD2 B:TYR364 4.3 29.2 1.0
O B:LEU362 4.4 31.7 1.0
O B:HOH641 4.4 34.2 1.0
C B:ARG363 4.6 37.1 1.0
CZ B:TYR63 4.7 26.5 1.0
CB B:TYR364 4.7 33.1 1.0
CE1 B:TYR63 4.8 28.2 1.0
CE2 B:TYR63 4.8 28.3 1.0
OD1 B:ASP373 4.8 29.6 1.0
CA B:TYR364 4.9 34.4 1.0
CD1 B:TYR63 4.9 24.1 1.0
CD2 B:TYR63 4.9 27.3 1.0
CB B:ARG363 5.0 35.8 1.0
CG B:TYR63 5.0 25.5 1.0
O B:TYR364 5.0 32.7 1.0

Chlorine binding site 3 out of 6 in 5i3t

Go back to Chlorine Binding Sites List in 5i3t
Chlorine binding site 3 out of 6 in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:48.9
occ:1.00
O C:HOH694 2.4 34.3 1.0
N C:TYR364 3.9 32.0 1.0
OD1 C:ASP373 4.0 35.1 1.0
CB C:ASP373 4.1 27.8 1.0
CG C:ASP373 4.1 33.2 1.0
CA C:ARG363 4.3 32.7 0.4
CA C:ARG363 4.3 32.7 0.6
O C:LEU362 4.3 32.6 1.0
CD2 C:TYR364 4.4 34.0 1.0
O C:HOH605 4.4 37.3 1.0
CZ C:TYR63 4.4 32.8 1.0
CE2 C:TYR63 4.5 24.6 1.0
CD C:ARG363 4.6 31.3 0.6
CE1 C:TYR63 4.6 29.5 1.0
C C:ARG363 4.6 33.5 1.0
CD2 C:TYR63 4.7 27.3 1.0
OD2 C:ASP373 4.7 29.8 1.0
CB C:TYR364 4.7 33.2 1.0
CD1 C:TYR63 4.8 31.2 1.0
CG C:TYR63 4.8 32.2 1.0
OH C:TYR63 4.8 35.2 1.0
CA C:TYR364 4.9 34.0 1.0
O C:TYR364 5.0 36.8 1.0

Chlorine binding site 4 out of 6 in 5i3t

Go back to Chlorine Binding Sites List in 5i3t
Chlorine binding site 4 out of 6 in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:51.0
occ:1.00
O D:HOH695 2.5 33.2 1.0
N D:TYR364 3.8 28.6 1.0
OD1 D:ASP373 4.1 35.5 1.0
CA D:ARG363 4.2 29.8 1.0
CG D:ASP373 4.2 31.2 1.0
CB D:ASP373 4.2 25.3 1.0
CG D:ARG363 4.4 54.7 1.0
O D:LEU362 4.4 26.1 1.0
CD2 D:TYR364 4.4 29.4 1.0
C D:ARG363 4.5 34.0 1.0
CZ D:TYR63 4.6 27.9 1.0
CE1 D:TYR63 4.6 31.8 1.0
O D:HOH608 4.7 29.8 1.0
CE2 D:TYR63 4.7 27.9 1.0
CB D:TYR364 4.7 26.2 1.0
OD2 D:ASP373 4.7 29.9 1.0
O D:TYR364 4.8 32.7 1.0
CD1 D:TYR63 4.8 23.4 1.0
CA D:TYR364 4.8 29.3 1.0
CD2 D:TYR63 4.8 22.9 1.0
CB D:ARG363 4.9 34.6 1.0
CG D:TYR63 4.9 26.4 1.0
OH D:TYR63 5.0 29.6 1.0

Chlorine binding site 5 out of 6 in 5i3t

Go back to Chlorine Binding Sites List in 5i3t
Chlorine binding site 5 out of 6 in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:45.4
occ:1.00
OH D:TYR44 2.7 25.7 1.0
OE1 D:GLU350 2.7 37.1 1.0
N D:LEU38 2.8 35.7 1.0
NE D:ARG37 3.0 32.9 1.0
N D:ALA39 3.1 31.5 1.0
O D:ALA39 3.1 28.8 1.0
CE2 D:TYR44 3.5 27.9 1.0
CZ D:TYR44 3.6 25.8 1.0
CA D:LEU38 3.6 34.2 1.0
CD D:ARG37 3.7 30.3 1.0
C D:ARG37 3.7 37.0 1.0
CD D:GLU350 3.8 34.8 1.0
CB D:LEU38 3.8 37.4 1.0
C D:LEU38 3.8 34.9 1.0
CA D:ARG37 3.8 37.5 1.0
CB D:ARG37 3.9 38.3 1.0
CZ D:ARG37 4.0 27.8 1.0
CD2 D:LEU346 4.0 24.5 1.0
C D:ALA39 4.0 32.5 1.0
NH2 D:ARG37 4.0 27.3 1.0
CA D:ALA39 4.1 28.9 1.0
OE2 D:GLU350 4.1 32.9 1.0
CG D:LEU38 4.4 37.3 1.0
CG D:ARG37 4.4 33.9 1.0
NZ D:LYS380 4.5 25.9 1.0
OD2 D:ASP56 4.5 33.4 1.0
CG D:LEU346 4.6 29.7 1.0
CB D:ALA39 4.6 24.7 1.0
CE D:LYS380 4.6 26.7 1.0
CD2 D:TYR44 4.9 24.7 1.0
O D:ARG37 4.9 42.6 1.0
CE1 D:TYR44 4.9 21.5 1.0
CD1 D:LEU38 5.0 36.9 1.0
O D:LEU38 5.0 29.5 1.0

Chlorine binding site 6 out of 6 in 5i3t

Go back to Chlorine Binding Sites List in 5i3t
Chlorine binding site 6 out of 6 in the Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:47.6
occ:1.00
O E:HOH695 2.4 36.7 1.0
N E:TYR364 3.8 31.3 1.0
CB E:ASP373 4.0 27.1 1.0
OD2 E:ASP373 4.0 31.6 1.0
CD2 E:TYR364 4.1 31.6 1.0
CG E:ASP373 4.1 33.0 1.0
CA E:ARG363 4.2 30.0 1.0
O E:LEU362 4.3 28.6 1.0
C E:ARG363 4.5 29.1 1.0
O E:HOH611 4.5 28.5 1.0
CZ E:TYR63 4.6 27.9 1.0
CB E:TYR364 4.6 27.8 1.0
CE2 E:TYR63 4.7 28.0 1.0
CE1 E:TYR63 4.7 25.0 1.0
OD1 E:ASP373 4.8 32.5 1.0
CA E:TYR364 4.8 33.2 1.0
CD2 E:TYR63 4.8 22.1 1.0
CG E:TYR364 4.9 29.9 1.0
CD1 E:TYR63 4.9 27.0 1.0
CG E:TYR63 4.9 28.2 1.0
CB E:ARG363 5.0 34.4 1.0
O E:TYR364 5.0 33.3 1.0
CE2 E:TYR364 5.0 32.1 1.0
C E:LEU362 5.0 30.6 1.0

Reference:

J.W.Lamattina, M.Carlock, D.J.Koch, W.N.Lanzilotta. Native Structure of the Linalool Dehydratase-Isomerase From Castellaniella Defragrans To Be Published.
Page generated: Fri Jul 26 09:08:40 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy