Chlorine in PDB 5ekw: A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348

Enzymatic activity of A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348

All present enzymatic activity of A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348:
4.2.1.19;

Protein crystallography data

The structure of A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348, PDB code: 5ekw was solved by C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.C.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	35.70 / 1.10
*Space group*	P 4 3 2
*Cell size a, b, c (Å), α, β, γ (°)*	112.905, 112.905, 112.905, 90.00, 90.00, 90.00
*R / R_free (%)*	12.3 / 13.3

Other elements in 5ekw:

The structure of A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348 also contains other interesting chemical elements:

Manganese

(Mn)

3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348 (pdb code 5ekw). 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 A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348, PDB code: 5ekw:

Chlorine binding site 1 out of 1 in 5ekw

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Chlorine Binding Sites List in 5ekw

Chlorine binding site 1 out of 1 in the A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A. Thaliana IGPD2 in Complex with the Racemate of the Triazole- Phosphonate Inhibitor, C348 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl413 b:12.2 occ:0.33	NH1	A:ARG161	3.1	10.9	0.5
	NH1	A:ARG161	3.4	13.1	0.5
	NH2	A:ARG161	3.5	11.9	0.5
	NH2	A:ARG161	3.5	9.6	0.5
	CZ	A:ARG161	3.8	10.0	0.5
	CZ	A:ARG161	3.9	9.0	0.5
	C1	A:TRS411	4.1	10.9	0.3
	C3	A:TRS411	4.1	11.7	0.3
	C2	A:TRS411	4.1	10.9	0.3
	CD2	A:LEU163	4.3	15.1	1.0
	C	A:TRS411	4.3	10.3	0.3
	CD1	A:LEU163	4.9	10.1	1.0
	O2	A:TRS411	4.9	12.9	0.3
	O1	A:TRS411	4.9	12.9	0.3
	O3	A:TRS411	4.9	14.0	0.3

Reference:

C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.C.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice. Mirror-Image Packing Provides A Molecular Basis For the Nanomolar Equipotency of Enantiomers of An Experimental Herbicide. Angew.Chem.Int.Ed.Engl. V. 55 13485 2016.
ISSN: ESSN 1521-3773
PubMed: 27717128
DOI: 10.1002/ANIE.201607185

Page generated: Sat Jul 12 01:43:57 2025

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