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Chlorine in PDB 5elw: A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution

Enzymatic activity of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution

All present enzymatic activity of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution:
4.2.1.19;

Protein crystallography data

The structure of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution, PDB code: 5elw 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) 45.96 / 1.40
Space group P 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 112.580, 112.580, 112.580, 90.00, 90.00, 90.00
R / Rfree (%) 11.7 / 13.1

Other elements in 5elw:

The structure of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution (pdb code 5elw). 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 Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution, PDB code: 5elw:

Chlorine binding site 1 out of 1 in 5elw

Go back to Chlorine Binding Sites List in 5elw
Chlorine binding site 1 out of 1 in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution


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 Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:21.2
occ:0.33
NH2 A:ARG161 3.1 26.4 1.0
NH1 A:ARG161 3.3 12.7 1.0
CZ A:ARG161 3.7 17.8 1.0
CD2 A:LEU163 4.3 11.6 1.0
O A:HOH602 4.8 26.8 1.0
CD1 A:LEU163 4.9 9.7 1.0

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 Dec 12 11:41:35 2020

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