Chlorine in PDB 6der: Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam

All present enzymatic activity of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam:
2.2.1.6;

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam, PDB code: 6der was solved by M.D.Garcia, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 2.13
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	173.806, 173.806, 176.598, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 16.6

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam (pdb code 6der). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam, PDB code: 6der:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam


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 Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:61.1 occ:1.00 CL A:G87704 0.0 61.1 1.0 C05 A:G87704 1.8 63.3 1.0 C06 A:G87704 2.7 53.5 1.0 C04 A:G87704 2.8 55.4 1.0 O A:HOH1208 3.0 94.4 1.0 N09 A:G87704 3.0 69.5 1.0 N21 A:G87704 3.4 52.0 1.0 C13 A:G87704 3.5 47.7 1.0 S10 A:G87704 3.9 54.9 1.0 C20 A:G87704 4.0 47.1 1.0 C07 A:G87704 4.1 46.5 1.0 N14 A:G87704 4.1 43.9 1.0 C03 A:G87704 4.1 56.6 1.0 N15 A:G87704 4.3 56.6 1.0 C02 A:G87704 4.6 52.4 1.0 O12 A:G87704 4.7 61.0 1.0 N19 A:G87704 4.8 52.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Metosulam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:62.3 occ:1.00 CL1 A:G87704 0.0 62.3 1.0 C03 A:G87704 1.7 56.6 1.0 C02 A:G87704 2.7 52.4 1.0 C04 A:G87704 2.7 55.4 1.0 C01 A:G87704 3.0 53.3 1.0 N09 A:G87704 3.0 69.5 1.0 O12 A:G87704 3.1 61.0 1.0 O A:HOH1327 3.3 89.4 1.0 S10 A:G87704 3.5 54.9 1.0 O A:HOH1221 3.6 66.1 1.0 O A:HOH1279 3.6 54.5 1.0 O A:HOH1157 3.7 60.6 1.0 C07 A:G87704 4.0 46.5 1.0 O11 A:G87704 4.0 77.8 1.0 C05 A:G87704 4.0 63.3 1.0 NH2 A:ARG376 4.1 44.9 1.0 C06 A:G87704 4.5 53.5 1.0 CB A:ALA653 4.6 47.6 1.0

M.D.Garcia, S.M.H.Chua, Y.S.Low, Y.T.Lee, K.Agnew-Francis, J.G.Wang, A.Nouwens, T.Lonhienne, C.M.Williams, J.A.Fraser, L.W.Guddat. Commercial Ahas-Inhibiting Herbicides Are Promising Drug Leads For the Treatment of Human Fungal Pathogenic Infections. Proc. Natl. Acad. Sci. V. 115 E9649 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30249642
DOI: 10.1073/PNAS.1809422115