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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: Sat Jul 12 02:58:54 2025

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