Chlorine in PDB 4gug: 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1)

Enzymatic activity of 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1)

All present enzymatic activity of 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1):
4.2.1.10;

Protein crystallography data

The structure of 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1), PDB code: 4gug was solved by S.H.Light, G.Minasov, M.-E.Duban, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.86 / 1.62
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	45.703, 64.266, 81.045, 90.00, 93.89, 90.00
*R / R_free (%)*	17.3 / 20.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1) (pdb code 4gug). 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 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1), PDB code: 4gug:

Chlorine binding site 1 out of 1 in 4gug

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Chlorine Binding Sites List in 4gug

Chlorine binding site 1 out of 1 in the 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.62 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl301 b:34.3 occ:1.00	O	A:HOH421	3.0	33.1	1.0
	N	A:PHE118	3.3	23.2	1.0
	ND2	A:ASN142	3.4	21.1	1.0
	N	A:LEU117	3.5	19.8	1.0
	CD2	A:PHE118	3.6	29.5	1.0
	O	A:SER141	3.8	18.8	1.0
	CB	A:GLU116	3.8	19.6	1.0
	CB	A:LEU117	3.9	23.2	1.0
	CA	A:LEU117	4.0	22.4	1.0
	CB	A:PHE118	4.0	27.6	1.0
	C	A:GLU116	4.1	18.4	1.0
	C	A:LEU117	4.1	23.1	1.0
	CA	A:ASN142	4.2	16.4	1.0
	CA	A:PHE118	4.2	25.8	1.0
	CG	A:PHE118	4.3	29.5	1.0
	CA	A:GLU116	4.3	18.3	1.0
	CG	A:ASN142	4.3	19.0	1.0
	CB	A:ASN142	4.4	17.8	1.0
	CG	A:GLU116	4.5	21.5	1.0
	O	A:HOH449	4.6	35.7	1.0
	CE2	A:PHE118	4.6	32.6	1.0
	O	A:HOH444	4.7	34.1	1.0
	C	A:SER141	4.7	18.8	1.0
	O	A:GLU116	4.8	19.7	1.0
	CG	A:LEU117	4.9	23.8	1.0
	OE1	A:GLU116	5.0	37.3	1.0
	N	A:ASN142	5.0	15.9	1.0
	C	A:PHE118	5.0	26.6	1.0

Reference:

S.H.Light, W.F.Anderson, A.Lavie. Reassessing the Type I Dehydroquinate Dehydratase Catalytic Triad: Kinetic and Structural Studies of GLU86 Mutants. Protein Sci. V. 22 418 2013.
ISSN: ISSN 0961-8368
PubMed: 23341204
DOI: 10.1002/PRO.2218

Page generated: Sun Jul 21 15:05:18 2024

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