Chlorine in PDB 6k3l: Crystal Structure of Cx-4945 Bound CKA1 From C. Neoformans

The structure of Crystal Structure of Cx-4945 Bound CKA1 From C. Neoformans, PDB code: 6k3l was solved by H.S.Cho, Y.Yoo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.74 / 2.09
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	90.762, 95.395, 94.518, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of Cx-4945 Bound CKA1 From C. Neoformans (pdb code 6k3l). 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 Cx-4945 Bound CKA1 From C. Neoformans, PDB code: 6k3l:

Chlorine binding site 1 out of 1 in the Crystal Structure of Cx-4945 Bound CKA1 From C. Neoformans


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 Cx-4945 Bound CKA1 From C. Neoformans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:71.4 occ:1.00 CL22 B:3NG401 0.0 71.4 1.0 C18 B:3NG401 1.8 50.2 1.0 C17 B:3NG401 2.7 45.0 1.0 C19 B:3NG401 2.8 48.3 1.0 C B:ARG46 3.5 52.2 1.0 N B:ARG46 3.6 48.4 1.0 C B:GLY45 3.6 46.8 1.0 O B:ARG46 3.6 50.1 1.0 N B:GLY47 3.6 51.5 1.0 CG2 B:VAL52 3.8 41.0 1.0 CA B:GLY45 3.9 46.3 1.0 CA B:ARG46 3.9 52.8 1.0 C16 B:3NG401 4.0 39.2 1.0 O B:GLY45 4.0 37.0 1.0 O B:HOH533 4.0 46.9 1.0 C20 B:3NG401 4.0 48.1 1.0 CA B:GLY47 4.2 54.9 1.0 CB B:VAL52 4.3 37.8 1.0 O B:HOH589 4.4 52.0 1.0 C21 B:3NG401 4.5 46.5 1.0 OG B:SER50 4.8 52.7 1.0 N B:VAL52 4.8 36.9 1.0 N9 B:3NG401 4.9 34.0 1.0 N B:GLY45 4.9 49.6 1.0

B.X.Ong, Y.Yoo, M.G.Han, J.B.Park, M.K.Choi, Y.Choi, J.S.Shin, Y.S.Bahn, H.S.Cho. Structural Analysis of Fungal Pathogenicity-Related Casein Kinase Alpha Subunit, CKA1, in the Human Fungal Pathogen Cryptococcus Neoformans. Sci Rep V. 9 14398 2019.
ISSN: ESSN 2045-2322
PubMed: 31591414
DOI: 10.1038/S41598-019-50678-Z