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 / R_free (%)*	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

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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

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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

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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: Sun Jul 13 08:47:57 2025

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