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Iodine in PDB 6deo: Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Iodomuron Methyl

Enzymatic activity of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Iodomuron Methyl

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

Protein crystallography data

The structure of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Iodomuron Methyl, PDB code: 6deo 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) 46.53 / 1.97
Space group P 62 2 2
Cell size a, b, c (Å), α, β, γ (°) 174.905, 174.905, 176.926, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 17

Other elements in 6deo:

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

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

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Iodomuron Methyl (pdb code 6deo). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Iodomuron Methyl, PDB code: 6deo:

Iodine binding site 1 out of 1 in 6deo

Go back to Iodine Binding Sites List in 6deo
Iodine binding site 1 out of 1 in the Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Iodomuron Methyl


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Candida Albicans Acetohydroxyacid Synthase in Complex with the Herbicide Iodomuron Methyl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I705

b:35.7
occ:0.85
 I01 A:H4V705 0.0 35.7 0.8
C02 A:H4V705 2.1 27.1 0.8
O A:HOH1112 2.8 60.8 1.0
N03 A:H4V705 2.9 23.7 0.8
C26 A:H4V705 3.2 25.3 0.8
CG A:TRP582 3.7 32.9 1.0
O A:MET578 3.8 24.5 1.0
CD1 A:TRP582 3.8 37.3 1.0
CA A:VAL579 3.9 22.8 1.0
CG A:MET578 3.9 28.3 0.5
O A:HOH1150 4.0 32.1 1.0
CB A:TRP582 4.1 25.8 1.0
CG A:MET578 4.1 27.9 0.5
CD2 A:TRP582 4.2 32.0 1.0
C A:MET578 4.2 26.3 1.0
C04 A:H4V705 4.2 26.6 0.8
CG2 A:VAL579 4.2 21.5 1.0
NE1 A:TRP582 4.3 39.1 1.0
N A:VAL579 4.3 23.4 1.0
C23 A:H4V705 4.4 27.2 0.8
CE2 A:TRP582 4.5 35.7 1.0
CB A:VAL579 4.5 23.7 1.0
O1 A:CO2706 4.5 45.3 0.9
CG1 A:VAL579 4.6 22.4 1.0
N22 A:H4V705 4.8 27.8 0.8
CE3 A:TRP582 4.9 34.6 1.0
CB A:MET578 4.9 24.3 0.5
CB A:MET578 4.9 24.9 0.5
SD A:MET578 5.0 33.3 0.5

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: Sun Aug 11 22:51:01 2024

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