Chlorine in PDB 7ziz: X-Ray Structure of the Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5)

Enzymatic activity of X-Ray Structure of the Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5)

All present enzymatic activity of X-Ray Structure of the Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5):
3.8.1.5;

Protein crystallography data

The structure of X-Ray Structure of the Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5), PDB code: 7ziz 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)*	44.35 / 1.50
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	77.83, 88.71, 44.2, 90, 90, 90
*R / R_free (%)*	16.9 / 19.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5) (pdb code 7ziz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of the Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5), PDB code: 7ziz:

Chlorine binding site 1 out of 1 in 7ziz

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Chlorine Binding Sites List in 7ziz

Chlorine binding site 1 out of 1 in the X-Ray Structure of the Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5)

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 Dead Variant Haloalkane Dehalogenase HALOTAG7- D106A Bound to A Pentanol Tetramethylrhodamine Ligand (Tmr-HY5) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl302 b:11.7 occ:1.00	O2	A:IYL301	3.1	14.8	1.0
	NE1	A:TRP107	3.3	11.3	1.0
	ND2	A:ASN41	3.4	11.6	1.0
	N	A:PRO206	3.5	11.9	1.0
	CA	A:PRO206	3.5	9.9	1.0
	CD1	A:TRP107	3.6	10.6	1.0
	CD	A:PRO206	3.7	11.9	1.0
	CZ	A:PHE168	3.7	11.8	1.0
	C	A:PHE205	3.7	11.6	1.0
	CB	A:PRO206	3.8	12.6	1.0
	C21	A:IYL301	3.9	21.0	1.0
	CB	A:PHE205	3.9	9.7	1.0
	CD1	A:LEU209	3.9	13.3	1.0
	CB	A:ASN41	4.0	13.9	1.0
	O	A:PHE205	4.0	12.7	1.0
	C20	A:IYL301	4.0	18.1	1.0
	CG	A:LEU209	4.2	12.7	1.0
	CE2	A:PHE168	4.2	12.1	1.0
	CG	A:ASN41	4.2	11.5	1.0
	CG	A:PRO206	4.3	11.5	1.0
	CD2	A:LEU209	4.3	14.2	1.0
	CE2	A:PHE149	4.4	11.6	1.0
	CA	A:PHE205	4.5	11.4	1.0
	CE2	A:TRP107	4.6	11.4	1.0
	CE1	A:PHE168	4.6	14.7	1.0
	O	A:HOH468	4.9	12.9	1.0
	CG	A:PHE205	4.9	12.1	1.0
	C	A:PRO206	4.9	11.4	1.0
	CG	A:TRP107	5.0	9.1	1.0

Reference:

J.Kompa, J.Bruins, M.Glogger, J.Wilhelm, M.S.Frei, M.Tarnawski, E.D’Este, M.Heilemann, J.Hiblot, K.Johnsson. Exchangeable Halotag Ligands For Super-Resolution Fluorescence Microscopy J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.2C11969

Page generated: Tue Jul 30 06:15:44 2024

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