Chlorine in PDB 6f4l: Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate

Enzymatic activity of Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate

All present enzymatic activity of Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate:
2.5.1.72;

Protein crystallography data

The structure of Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate, PDB code: 6f4l was solved by A.Volbeda, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	46.95 / 2.30
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	55.440, 49.310, 61.900, 90.00, 107.21, 90.00
*R / R_free (%)*	20.2 / 22

Other elements in 6f4l:

The structure of Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate (pdb code 6f4l). 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 Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate, PDB code: 6f4l:

Chlorine binding site 1 out of 1 in 6f4l

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Chlorine Binding Sites List in 6f4l

Chlorine binding site 1 out of 1 in the Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Quinolinate Synthase with Inhibitor-Derived Quinolinate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl303 b:81.6 occ:1.00	N	A:ASP69	3.2	52.9	1.0
	CB	A:ASP69	3.3	67.0	1.0
	CA	A:ASP69	3.6	56.6	1.0
	C	A:ASN67	3.8	48.7	1.0
	C	A:ASP69	3.8	55.9	1.0
	CG	A:LYS70	3.9	46.4	1.0
	N	A:LYS70	3.9	50.9	1.0
	NZ	A:LYS70	4.0	53.3	1.0
	N	A:PRO68	4.0	48.4	1.0
	CA	A:ASN67	4.1	48.9	1.0
	O	A:ASN67	4.1	44.7	1.0
	CG	A:ASP69	4.2	75.7	1.0
	OD2	A:ASP69	4.3	84.0	1.0
	CD	A:PRO68	4.3	47.5	1.0
	C	A:PRO68	4.4	50.6	1.0
	O	A:ASP69	4.5	57.8	1.0
	CB	A:ASN67	4.5	48.8	1.0
	CE	A:LYS70	4.6	50.3	1.0
	CG	A:PRO68	4.7	50.0	1.0
	CD	A:LYS70	4.7	45.1	1.0
	CB	A:LYS70	4.7	45.4	1.0
	CA	A:PRO68	4.7	48.6	1.0
	CA	A:LYS70	4.9	47.0	1.0

Reference:

A.Volbeda, J.Saez Cabodevilla, C.Darnault, O.Gigarel, T.H.Han, O.Renoux, O.Hamelin, S.Ollagnier-De-Choudens, P.Amara, J.C.Fontecilla-Camps. Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis By Nada. Acs Chem. Biol. V. 13 1209 2018.
ISSN: ESSN 1554-8937
PubMed: 29641168
DOI: 10.1021/ACSCHEMBIO.7B01104

Page generated: Sat Jul 27 23:01:52 2024

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