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Chlorine in PDB 6xt8: Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2

Enzymatic activity of Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2

All present enzymatic activity of Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2:
3.8.1.5;

Protein crystallography data

The structure of Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2, PDB code: 6xt8 was solved by K.Markova, J.Damborsky, M.Marek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.53 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.9, 164.613, 92.736, 90, 100.92, 90
R / Rfree (%) 18.5 / 21.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2 (pdb code 6xt8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2, PDB code: 6xt8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6xt8

Go back to Chlorine Binding Sites List in 6xt8
Chlorine binding site 1 out of 4 in the Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2


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 Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:22.8
occ:1.00
 O A:HOH407 3.0 34.7 1.0
NE1 A:TRP107 3.2 17.2 1.0
N B:PRO206 3.4 17.6 1.0
CA B:PRO206 3.5 17.3 1.0
CD B:PRO206 3.5 17.6 1.0
ND2 A:ASN41 3.6 17.6 1.0
C B:PHE205 3.7 17.8 1.0
CD1 A:TRP107 3.7 16.7 1.0
CB B:PHE205 3.8 17.3 1.0
CZ A:PHE168 3.8 16.5 1.0
CB B:PRO206 3.9 18.5 1.0
CE1 A:PHE168 4.0 18.0 1.0
CD1 B:LEU209 4.0 18.5 1.0
O B:PHE205 4.0 17.2 1.0
CG B:LEU209 4.1 19.1 1.0
CB A:ASN41 4.2 15.6 1.0
CD2 B:LEU209 4.3 17.4 1.0
CG B:PRO206 4.3 17.5 1.0
CE2 A:PHE149 4.3 19.9 1.0
CG A:ASN41 4.4 16.9 1.0
CA B:PHE205 4.4 18.8 1.0
CE2 A:TRP107 4.4 17.1 1.0
CG B:PHE205 4.8 16.5 1.0
CE2 A:PHE168 4.9 22.4 1.0
C B:PRO206 4.9 21.0 1.0
O B:HOH547 5.0 30.4 1.0
OD1 A:ASP106 5.0 27.6 1.0
OD2 A:ASP106 5.0 18.9 1.0

Chlorine binding site 2 out of 4 in 6xt8

Go back to Chlorine Binding Sites List in 6xt8
Chlorine binding site 2 out of 4 in the Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2


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 Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:25.0
occ:1.00
 O B:HOH440 3.2 38.8 1.0
NE1 B:TRP107 3.3 20.2 1.0
N A:PRO206 3.4 20.1 1.0
ND2 B:ASN41 3.4 19.9 1.0
CA A:PRO206 3.5 20.4 1.0
C A:PHE205 3.6 21.0 1.0
CD A:PRO206 3.6 20.7 1.0
CB A:PHE205 3.7 21.9 1.0
CD1 B:TRP107 3.8 17.1 1.0
CZ B:PHE168 3.9 22.1 1.0
CB A:PRO206 3.9 21.3 1.0
O A:PHE205 3.9 21.8 1.0
CB B:ASN41 4.0 17.0 1.0
CD1 A:LEU209 4.0 23.0 1.0
CE1 B:PHE168 4.1 25.3 1.0
CG A:LEU209 4.1 21.0 1.0
CG B:ASN41 4.2 21.4 1.0
CD2 A:LEU209 4.3 21.5 1.0
CA A:PHE205 4.3 18.7 1.0
CG A:PRO206 4.4 18.9 1.0
CE2 B:TRP107 4.5 19.2 1.0
CE2 B:PHE149 4.6 24.1 1.0
CG A:PHE205 4.8 19.4 1.0
CE2 B:PHE168 4.8 23.5 1.0
OD2 B:ASP106 4.9 21.0 1.0
C A:PRO206 4.9 20.5 1.0
O A:HOH589 5.0 32.8 1.0
OD1 B:ASP106 5.0 28.2 1.0

Chlorine binding site 3 out of 4 in 6xt8

Go back to Chlorine Binding Sites List in 6xt8
Chlorine binding site 3 out of 4 in the Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:30.5
occ:1.00
 O C:HOH409 3.0 41.2 1.0
NE1 C:TRP107 3.2 22.1 1.0
N D:PRO206 3.3 23.9 1.0
CA D:PRO206 3.5 25.3 1.0
ND2 C:ASN41 3.5 23.5 1.0
CD D:PRO206 3.6 23.2 1.0
C D:PHE205 3.6 23.3 1.0
CZ C:PHE168 3.7 25.1 1.0
CD1 C:TRP107 3.7 23.2 1.0
CB D:PHE205 3.7 24.8 1.0
CB D:PRO206 3.9 25.7 1.0
O D:PHE205 3.9 24.9 1.0
CE1 C:PHE168 4.0 25.8 1.0
CD1 D:LEU209 4.0 25.1 1.0
CB C:ASN41 4.0 21.3 1.0
CG D:LEU209 4.1 28.4 1.0
CD2 D:LEU209 4.2 28.3 1.0
CG C:ASN41 4.3 27.1 1.0
CG D:PRO206 4.3 26.7 1.0
CA D:PHE205 4.3 23.0 1.0
CE2 C:TRP107 4.4 24.2 1.0
CE2 C:PHE149 4.5 22.8 1.0
CE2 C:PHE168 4.7 27.7 1.0
CG D:PHE205 4.8 21.8 1.0
O D:HOH400 4.8 34.0 1.0
C D:PRO206 4.9 26.7 1.0
OD2 C:ASP106 4.9 25.4 1.0
OD1 C:ASP106 5.0 31.9 1.0
CZ2 C:TRP107 5.0 25.0 1.0

Chlorine binding site 4 out of 4 in 6xt8

Go back to Chlorine Binding Sites List in 6xt8
Chlorine binding site 4 out of 4 in the Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Haloalkane Dehalogenase Variant DHAA115 Domain- Swapped Dimer Type-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl306

b:34.4
occ:0.91
 O D:HOH387 2.7 39.9 1.0
NE1 D:TRP107 3.2 29.2 1.0
N C:PRO206 3.2 36.1 1.0
CA C:PRO206 3.4 36.2 1.0
C C:PHE205 3.6 34.7 1.0
CD C:PRO206 3.6 34.9 1.0
ND2 D:ASN41 3.6 33.0 1.0
CD1 D:TRP107 3.7 33.7 1.0
CB C:PHE205 3.8 30.9 1.0
CB C:PRO206 3.8 34.4 1.0
CZ D:PHE168 3.9 29.7 1.0
O C:PHE205 4.0 34.7 1.0
CD1 C:LEU209 4.0 34.3 1.0
CE1 D:PHE168 4.1 36.3 1.0
CG C:LEU209 4.1 35.2 1.0
CD2 C:LEU209 4.1 37.9 1.0
CB D:ASN41 4.2 27.7 1.0
CG C:PRO206 4.3 33.3 1.0
CA C:PHE205 4.3 25.8 1.0
CE2 D:PHE149 4.4 38.5 1.0
CE2 D:TRP107 4.4 29.8 1.0
CG D:ASN41 4.4 33.1 1.0
CG C:PHE205 4.8 29.5 1.0
C C:PRO206 4.8 35.5 1.0
O C:HOH517 4.9 39.6 1.0
CE2 D:PHE168 5.0 33.8 1.0
OD2 D:ASP106 5.0 32.5 1.0

Reference:

K.Markova, J.Damborsky, M.Marek. Structures of Haloalkane Dehalogenase Variant DHAA115 To Be Published.
Page generated: Mon Jul 29 17:21:45 2024

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