Potassium in PDB 6q2c: Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51

The structure of Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51, PDB code: 6q2c was solved by V.Sharma, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.51 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.350, 101.570, 123.740, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.7

The structure of Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51 also contains other interesting chemical elements:

Iron	(Fe)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Potassium atom in the Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51 (pdb code 6q2c). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51, PDB code: 6q2c:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51 within 5.0Å range: probe atom residue distance (Å) B Occ A:K504 b:88.5 occ:1.00 OH A:TYR483 3.3 50.9 1.0 CE1 A:TYR483 4.0 45.3 1.0 CZ A:TYR483 4.1 46.9 1.0 CD1 A:TRP168 4.1 50.0 1.0 O A:THR173 4.1 43.8 0.5 NE1 A:TRP168 4.2 49.5 1.0 CG A:TRP168 4.3 46.1 1.0 CE2 A:TRP168 4.4 45.0 1.0 CD2 A:TRP168 4.4 44.0 1.0 CG2 A:VAL174 4.5 47.8 1.0 CB A:VAL174 4.6 42.0 1.0 CB A:TRP168 4.9 43.2 1.0 O A:THR173 4.9 39.3 0.5

Potassium binding site 2 out of 2 in the Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Domain-Swapped Dimer of Acanthamoeba Castellanii CYP51 within 5.0Å range: probe atom residue distance (Å) B Occ B:K504 b:86.8 occ:1.00 O B:HOH688 3.4 53.8 1.0 O B:HOH784 3.7 55.7 1.0 CB B:PRO99 4.1 44.4 1.0 CB B:PHE374 4.2 49.6 1.0 CD B:GLN103 4.2 47.4 1.0 CA B:PRO99 4.3 43.8 1.0 OE1 B:GLN103 4.4 52.3 1.0 CG B:GLN103 4.5 45.2 1.0 O B:HOH743 4.5 57.7 1.0 O B:SER375 4.6 48.9 1.0 NE2 B:GLN103 4.6 45.6 1.0 CG B:PHE374 4.8 45.9 1.0 CD1 B:PHE374 5.0 40.8 1.0

V.Sharma, B.Shing, L.Hernandez-Alvarez, A.Debnath, L.M.Podust. Domain-Swap Dimerization of Acanthamoeba Castellanii CYP51 and A Unique Mechanism of Inactivation By Isavuconazole. Mol.Pharmacol. V. 98 770 2020.
ISSN: ESSN 1521-0111
PubMed: 33008918
DOI: 10.1124/MOLPHARM.120.000092