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Chlorine in PDB 7ziv: X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr)

Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr)

All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr):
3.8.1.5;

Protein crystallography data

The structure of X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr), PDB code: 7ziv was solved by M.Tarnawski, J.Kompa, K.Johnsson, J.Hiblot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.67 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.01, 77.35, 44.29, 90, 118.53, 90
R / Rfree (%) 17.1 / 19.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr) (pdb code 7ziv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr), PDB code: 7ziv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7ziv

Go back to Chlorine Binding Sites List in 7ziv
Chlorine binding site 1 out of 3 in the X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:13.7
occ:0.27
 CL1 A:OEH301 0.0 13.7 0.3
C20 A:OEH301 1.8 12.0 0.3
O A:HOH492 2.8 12.5 1.0
C19 A:OEH301 2.8 22.7 0.3
O A:ASN41 3.0 14.1 1.0
CL A:CL302 3.1 10.8 1.0
C19 A:OEH301 3.1 23.5 0.7
C20 A:OEH301 3.2 12.3 0.7
C18 A:OEH301 3.3 23.1 0.3
C18 A:OEH301 3.5 23.5 0.7
CB A:ASN41 3.5 9.8 1.0
CZ A:PHE168 3.8 10.2 1.0
C A:ASN41 3.9 9.6 1.0
O A:HOH419 3.9 16.2 1.0
CD1 A:TRP107 4.0 9.9 1.0
CE1 A:PHE168 4.0 10.9 1.0
CA A:ASN41 4.1 9.6 1.0
C17 A:OEH301 4.1 26.3 0.7
N A:ASN41 4.2 10.0 1.0
ND2 A:ASN41 4.3 9.6 1.0
C17 A:OEH301 4.3 24.9 0.3
CG A:ASN41 4.4 10.2 1.0
NE1 A:TRP107 4.6 9.2 1.0
CL1 A:OEH301 4.7 31.4 0.7
C16 A:OEH301 4.9 23.3 0.7
C16 A:OEH301 4.9 23.0 0.3
CE2 A:PHE168 5.0 11.7 1.0
CB A:ALA106 5.0 10.4 1.0

Chlorine binding site 2 out of 3 in 7ziv

Go back to Chlorine Binding Sites List in 7ziv
Chlorine binding site 2 out of 3 in the X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:31.4
occ:0.73
 CL1 A:OEH301 0.0 31.4 0.7
C20 A:OEH301 1.7 12.3 0.7
C19 A:OEH301 2.6 23.5 0.7
C19 A:OEH301 3.0 22.7 0.3
C18 A:OEH301 3.0 23.5 0.7
C20 A:OEH301 3.1 12.0 0.3
CD1 A:LEU246 3.1 18.6 1.0
C18 A:OEH301 3.1 23.1 0.3
CG1 A:ILE132 3.4 13.7 1.0
CA A:ALA106 3.5 10.3 1.0
CB A:ALA106 3.6 10.4 1.0
CD1 A:ILE132 3.8 13.3 1.0
C A:ALA106 4.0 10.3 1.0
O A:GLU130 4.2 11.5 1.0
N A:TRP107 4.3 10.4 1.0
C17 A:OEH301 4.4 24.9 0.3
O A:HOH492 4.4 12.5 1.0
OD1 A:ASN272 4.5 19.3 1.0
C17 A:OEH301 4.5 26.3 0.7
CG A:LEU246 4.5 20.9 1.0
CD2 A:LEU209 4.6 11.1 1.0
O A:ALA106 4.7 10.9 1.0
CL1 A:OEH301 4.7 13.7 0.3
CB A:ILE132 4.7 11.2 1.0
N A:ILE132 4.8 10.9 1.0
N A:ALA106 4.8 10.6 1.0
C A:PHE131 4.8 12.3 1.0
CA A:ILE132 4.9 10.5 1.0
O A:PHE131 5.0 12.8 1.0

Chlorine binding site 3 out of 3 in 7ziv

Go back to Chlorine Binding Sites List in 7ziv
Chlorine binding site 3 out of 3 in the X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7- D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:10.8
occ:1.00
 CL1 A:OEH301 3.1 13.7 0.3
NE1 A:TRP107 3.2 9.2 1.0
C20 A:OEH301 3.3 12.0 0.3
ND2 A:ASN41 3.4 9.6 1.0
N A:PRO206 3.5 8.9 1.0
CA A:PRO206 3.6 10.2 1.0
CD A:PRO206 3.6 8.7 1.0
CD1 A:TRP107 3.6 9.9 1.0
CZ A:PHE168 3.7 10.2 1.0
C19 A:OEH301 3.7 22.7 0.3
C A:PHE205 3.8 10.5 1.0
CB A:PRO206 3.8 9.7 1.0
CD1 A:LEU209 3.9 11.4 1.0
CB A:PHE205 3.9 10.6 1.0
C19 A:OEH301 3.9 23.5 0.7
CE2 A:PHE168 4.0 11.7 1.0
CB A:ASN41 4.1 9.8 1.0
O A:PHE205 4.1 10.9 1.0
CG A:LEU209 4.2 10.1 1.0
CG A:PRO206 4.3 11.4 1.0
CE2 A:PHE149 4.3 11.5 1.0
CG A:ASN41 4.3 10.2 1.0
CD2 A:LEU209 4.4 11.1 1.0
C20 A:OEH301 4.4 12.3 0.7
CA A:PHE205 4.5 10.2 1.0
CE2 A:TRP107 4.5 9.8 1.0
CE1 A:PHE168 4.7 10.9 1.0
CG A:PHE205 4.9 10.3 1.0
CG A:TRP107 4.9 8.8 1.0
C18 A:OEH301 4.9 23.1 0.3
O A:HOH492 5.0 12.5 1.0
C A:PRO206 5.0 9.4 1.0
CZ A:PHE149 5.0 12.0 1.0
C18 A:OEH301 5.0 23.5 0.7

Reference:

M.Tarnawski, J.Kompa, K.Johnsson, J.Hiblot. X-Ray Structure of the Haloalkane Dehalogenase Dead Variant HALOTAG7-D106A Bound to A Chloroalkane Tetramethylrhodamine Fluorophore Ligand (Ca-Tmr) To Be Published.
Page generated: Tue Jul 30 06:15:44 2024

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