Chlorine in PDB 8a0z: Crystal Structure of Candida Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine

All present enzymatic activity of Crystal Structure of Candida Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine:
1.5.1.3;

The structure of Crystal Structure of Candida Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine, PDB code: 8a0z was solved by T.K.Kirkman, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.10 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.179, 45.449, 54.074, 105.27, 93.33, 90.2
R / Rfree (%)	19 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Candida Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine (pdb code 8a0z). 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 Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine, PDB code: 8a0z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Candida Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine


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 Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:25.1 occ:1.00 CL1 B:CP6302 0.0 25.1 1.0 C10 B:CP6302 1.8 17.4 1.0 C9 B:CP6302 2.7 18.4 1.0 C11 B:CP6302 2.8 15.0 1.0 H32 B:EPE304 3.1 33.6 1.0 CG2 B:THR57 3.6 16.0 1.0 CB B:LEU60 4.0 20.2 1.0 H71 B:EPE304 4.0 45.4 1.0 C8 B:CP6302 4.0 15.9 1.0 O B:THR57 4.1 17.1 1.0 C12 B:CP6302 4.1 15.3 1.0 C3 B:EPE304 4.1 27.9 1.0 CG1 B:ILE61 4.1 21.5 1.0 CD1 B:LEU60 4.3 28.3 1.0 C5N B:NDP301 4.4 18.8 1.0 H52 B:EPE304 4.5 32.1 1.0 H31 B:EPE304 4.5 33.6 1.0 CB B:THR57 4.6 17.2 1.0 C7 B:CP6302 4.6 16.1 1.0 C6N B:NDP301 4.6 18.4 1.0 CA B:THR57 4.6 17.4 1.0 N4 B:EPE304 4.6 32.5 1.0 C B:THR57 4.7 17.5 1.0 N B:ILE61 4.7 21.5 1.0 C7 B:EPE304 4.8 37.7 1.0 CG B:LEU60 4.8 30.8 1.0 C B:LEU60 4.9 22.7 1.0 OG1 B:THR57 4.9 16.7 1.0 CD1 B:ILE61 4.9 21.9 1.0 H82 B:EPE304 5.0 42.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Candida Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine


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 Auris Dihydrofolate Reductase Complexed with Nadph and Pyrimethamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:26.2 occ:1.00 CL1 A:CP6302 0.0 26.2 1.0 C10 A:CP6302 1.8 22.8 1.0 C11 A:CP6302 2.8 21.5 1.0 C9 A:CP6302 2.8 16.3 1.0 C7 A:EPE303 3.1 30.7 1.0 CG2 A:THR57 3.6 14.6 1.0 C8 A:EPE303 3.8 30.7 1.0 O A:THR57 3.8 16.2 1.0 CB A:LEU60 3.9 21.0 1.0 CG1 A:ILE61 4.0 19.2 1.0 C12 A:CP6302 4.1 18.5 1.0 C8 A:CP6302 4.1 16.9 1.0 N4 A:EPE303 4.3 30.6 1.0 CD1 A:LEU60 4.3 27.0 1.0 C5N A:NDP301 4.5 17.3 1.0 C A:THR57 4.6 16.7 1.0 C7 A:CP6302 4.6 15.7 1.0 CA A:THR57 4.6 17.7 1.0 O8 A:EPE303 4.6 35.7 1.0 CB A:THR57 4.7 16.0 1.0 C3 A:EPE303 4.7 27.2 1.0 N A:ILE61 4.7 19.4 1.0 C A:LEU60 4.7 20.0 1.0 C6N A:NDP301 4.8 20.8 1.0 CD1 A:ILE61 4.8 19.2 1.0 CG A:LEU60 4.8 28.4 1.0 CA A:LEU60 4.9 21.7 1.0 C2 A:EPE303 5.0 25.1 1.0

T.K.Kirkman, M.V.B.Dias. Crystal Structure of Candida Auris To Be Published.