Chlorine in PDB 1nua: Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+

Enzymatic activity of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+

All present enzymatic activity of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+:
4.2.3.4;

Protein crystallography data

The structure of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, PDB code: 1nua was solved by C.E.Nichols, J.Ren, H.K.Lamb, A.R.Hawkins, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	28.72 / 2.85
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	40.590, 68.320, 135.030, 90.00, 84.69, 90.00
*R / R_free (%)*	18.2 / 26.9

Other elements in 1nua:

The structure of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ (pdb code 1nua). 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 Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+, PDB code: 1nua:

Chlorine binding site 1 out of 1 in 1nua

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Chlorine Binding Sites List in 1nua

Chlorine binding site 1 out of 1 in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+

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 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl602 b:40.4 occ:1.00	O	B:HOH614	2.9	13.2	1.0
	O	B:HOH626	3.0	19.9	1.0
	NZ	B:LYS89	3.4	22.8	1.0
	CE	B:LYS89	3.5	15.3	1.0
	O	B:HOH749	3.5	27.3	1.0
	NZ	A:LYS89	3.7	9.5	1.0
	CZ	B:PHE123	3.9	15.0	1.0
	CD	B:LYS89	3.9	18.5	1.0
	CE	A:LYS89	4.0	3.4	1.0
	CZ	A:PHE123	4.1	37.7	1.0
	CE2	B:PHE123	4.3	20.1	1.0
	CD	A:LYS89	4.4	21.0	1.0
	CE2	A:PHE123	4.5	32.8	1.0
	CE1	B:PHE123	4.7	28.4	1.0
	CG2	A:ILE164	4.9	12.3	1.0
	OG1	B:THR127	4.9	58.1	1.0
	CG2	B:ILE164	4.9	31.6	1.0
	CG2	B:THR127	4.9	54.8	1.0
	CE1	A:PHE123	4.9	35.0	1.0

Reference:

C.E.Nichols, J.Ren, H.K.Lamb, A.R.Hawkins, D.K.Stammers. Ligand-Induced Conformational Changes and A Mechanism For Domain Closure in Aspergillus Nidulans Dehydroquinate Synthase J.Mol.Biol. V. 327 129 2003.
ISSN: ISSN 0022-2836
PubMed: 12614613
DOI: 10.1016/S0022-2836(03)00086-X

Page generated: Thu Jul 10 18:31:34 2025

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