Chlorine in PDB 6r61: Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258

The structure of Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258, PDB code: 6r61 was solved by R.Krystufek, P.Sacha, J.Brynda, J.Konvalinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.78 / 1.81
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.17, 113.39, 91.22, 90, 90, 90
R / Rfree (%)	18.6 / 20.2

The structure of Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 (pdb code 6r61). 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 Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258, PDB code: 6r61:

Chlorine binding site 1 out of 1 in the Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:26.7 occ:1.00 OG A:SER285 3.0 21.6 1.0 O A:HOH608 3.2 25.9 1.0 O A:HOH553 3.2 25.4 1.0 CB A:SER285 3.6 22.2 1.0 N A:SER285 3.7 20.8 1.0 CG2 A:THR283 3.9 24.2 1.0 CB A:VAL216 4.0 21.7 1.0 C A:VAL284 4.0 20.1 1.0 O A:VAL216 4.1 21.0 1.0 CG1 A:VAL216 4.1 21.7 1.0 CA A:SER285 4.3 20.2 1.0 CA A:VAL284 4.3 22.3 1.0 N A:VAL284 4.4 20.2 1.0 O A:VAL284 4.6 21.2 1.0 C A:THR283 4.6 22.1 1.0 C A:VAL216 4.7 21.7 1.0 O A:THR283 4.7 23.3 1.0 CA A:VAL216 5.0 21.8 1.0 CG2 A:VAL216 5.0 23.0 1.0

R.Krystufek, P.Sacha, J.Brynda, J.Konvalinka. Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 To Be Published.