Chlorine in PDB 6del: Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Chlorimuron Ethyl

Enzymatic activity of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Chlorimuron Ethyl

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

Protein crystallography data

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Chlorimuron Ethyl, PDB code: 6del 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) 46.79 / 2.12
Space group P 62 2 2
Cell size a, b, c (Å), α, β, γ (°) 176.306, 176.306, 177.672, 90.00, 90.00, 120.00
R / Rfree (%) 16.3 / 18.7

Other elements in 6del:

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

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Chlorimuron Ethyl (pdb code 6del). 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 Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Chlorimuron Ethyl, PDB code: 6del:

Chlorine binding site 1 out of 1 in 6del

Go back to Chlorine Binding Sites List in 6del
Chlorine binding site 1 out of 1 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Chlorimuron Ethyl


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 Chlorimuron Ethyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:50.6
occ:1.00
 CL4' A:CIE703 0.0 50.6 1.0
C4' A:CIE703 1.7 37.1 1.0
N3' A:CIE703 2.6 35.8 1.0
C5' A:CIE703 2.8 33.1 1.0
C A:FMT707 3.3 41.6 0.8
CG A:TRP582 3.6 36.8 1.0
CD1 A:TRP582 3.6 36.9 1.0
O A:MET578 3.7 29.7 1.0
O2 A:FMT707 3.8 55.6 0.8
CG A:MET578 3.9 36.0 0.4
C2' A:CIE703 4.0 34.5 1.0
CB A:TRP582 4.0 29.3 1.0
CA A:VAL579 4.0 28.7 1.0
NE1 A:TRP582 4.0 43.7 1.0
CD2 A:TRP582 4.1 35.1 1.0
C6' A:CIE703 4.1 36.6 1.0
CG A:MET578 4.1 35.3 0.6
C A:MET578 4.2 34.0 1.0
O1 A:FMT707 4.2 35.0 0.8
CG2 A:VAL579 4.3 32.9 1.0
CE2 A:TRP582 4.3 39.5 1.0
N A:VAL579 4.4 26.4 1.0
N1' A:CIE703 4.5 36.8 1.0
CB A:VAL579 4.6 31.3 1.0
CE3 A:TRP582 4.8 36.4 1.0
CG1 A:VAL579 4.9 26.0 1.0
N14 A:CIE703 4.9 36.0 1.0
SD A:MET578 5.0 41.7 0.6

Reference:

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
Page generated: Sat Dec 12 12:52:57 2020

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