Calcium in PDB 5mua: PSL1A-E64 Complex

The structure of PSL1A-E64 Complex, PDB code: 5mua was solved by G.Cordara, D.Manna, U.Krengel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.87 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.671, 94.331, 102.764, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 24.8

The binding sites of Calcium atom in the PSL1A-E64 Complex (pdb code 5mua). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the PSL1A-E64 Complex, PDB code: 5mua:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the PSL1A-E64 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of PSL1A-E64 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:10.9 occ:1.00 O A:GLU204 2.3 11.8 1.0 OD1 A:ASP207 2.3 12.6 1.0 O A:HOH419 2.4 11.6 1.0 OD2 A:ASP210 2.4 11.6 1.0 OD1 A:ASP209 2.5 12.8 1.0 OD2 B:ASP176 2.5 13.3 1.0 OD1 B:ASP176 2.6 11.5 1.0 CG B:ASP176 2.9 12.1 1.0 CG A:ASP209 3.1 13.3 1.0 OD2 A:ASP209 3.2 15.0 1.0 CG A:ASP210 3.3 12.2 1.0 C A:GLU204 3.4 11.0 1.0 CG A:ASP207 3.5 13.1 1.0 OD1 A:ASP210 3.6 12.3 1.0 CA A:CA303 3.8 15.0 1.0 CA A:GLU204 4.0 11.4 1.0 OD2 A:ASP207 4.0 16.3 1.0 O B:HOH496 4.1 11.3 1.0 CB B:ALA233 4.3 12.3 1.0 N A:ASP207 4.3 11.5 1.0 CB B:ASP176 4.4 11.6 1.0 N A:ILE205 4.5 10.6 1.0 N A:ASP210 4.5 10.8 1.0 CB A:ASP209 4.6 12.6 1.0 CB A:ASP210 4.6 11.5 1.0 O A:HOH487 4.7 18.8 1.0 CB A:ASP207 4.7 12.7 1.0 C A:ILE205 4.7 11.9 1.0 O B:HOH557 4.8 11.4 1.0 N A:PHE206 4.8 11.2 1.0 CB A:GLU204 4.9 11.8 0.6 CA A:ASP207 4.9 12.2 1.0 CA A:ILE205 4.9 11.3 1.0 CB A:GLU204 5.0 12.4 0.4 O A:ILE205 5.0 12.3 1.0 N A:GLU204 5.0 11.1 1.0

Calcium binding site 2 out of 4 in the PSL1A-E64 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of PSL1A-E64 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:15.0 occ:1.00 O4 A:E64304 2.2 19.5 1.0 OD1 B:ASP176 2.3 11.5 1.0 OD2 A:ASP209 2.3 15.0 1.0 O B:SER175 2.4 13.4 1.0 O A:HOH512 2.4 16.1 1.0 OD2 A:ASP207 2.5 16.3 1.0 CG A:ASP207 3.2 13.1 1.0 C4 A:E64304 3.3 18.5 1.0 OD1 A:ASP207 3.3 12.6 1.0 CG B:ASP176 3.3 12.1 1.0 C B:SER175 3.4 13.5 1.0 CG A:ASP209 3.5 13.3 1.0 CA A:CA302 3.8 10.9 1.0 CA B:ASP176 4.0 12.7 1.0 C3 A:E64304 4.0 16.6 1.0 OD2 B:ASP176 4.0 13.3 1.0 N B:ASP176 4.1 12.7 1.0 OD1 A:ASP209 4.1 12.8 1.0 O A:HOH404 4.1 23.5 1.0 CB B:ASP176 4.2 11.6 1.0 OE2 A:GLU204 4.2 13.6 0.4 N1 A:E64304 4.3 18.1 1.0 C9 A:E64304 4.4 16.2 1.0 CA B:SER175 4.5 14.5 1.0 CB A:ASP209 4.6 12.6 1.0 CB A:ASP207 4.6 12.7 1.0 C6 A:E64304 4.7 19.6 1.0 CA A:GLU204 4.7 11.4 1.0 CB B:SER175 4.7 15.1 1.0 OE1 A:GLU204 4.8 16.2 0.6 SG A:CYS208 5.0 15.0 1.0 N A:ASP209 5.0 11.6 1.0 O3 A:E64304 5.0 18.0 1.0

Calcium binding site 3 out of 4 in the PSL1A-E64 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of PSL1A-E64 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:10.3 occ:1.00 OD1 B:ASP207 2.4 9.4 1.0 O B:GLU204 2.4 12.1 1.0 OD2 B:ASP210 2.4 10.6 1.0 OD1 B:ASP209 2.4 11.2 1.0 O B:HOH441 2.5 10.5 1.0 OD2 A:ASP176 2.5 11.2 1.0 OD2 B:ASP209 2.6 12.8 1.0 OD1 A:ASP176 2.6 8.7 1.0 CG B:ASP209 2.8 12.4 1.0 CG A:ASP176 2.9 10.1 1.0 CG B:ASP210 3.4 11.4 1.0 C B:GLU204 3.4 11.2 1.0 CA A:CA307 3.5 9.1 0.5 CG B:ASP207 3.5 11.6 1.0 OD1 B:ASP210 3.7 11.5 1.0 CA B:GLU204 3.9 10.8 1.0 OD2 B:ASP207 4.0 12.4 1.0 O A:HOH540 4.2 12.3 1.0 CB A:ALA233 4.3 10.3 1.0 N B:ASP207 4.4 13.0 1.0 CB B:ASP209 4.4 11.4 1.0 OG A:SER175 4.4 12.7 1.0 CB A:ASP176 4.5 10.0 1.0 N B:ASP210 4.5 11.0 1.0 N B:ILE205 4.5 10.3 1.0 CB B:ASP210 4.6 11.5 1.0 CB B:ASP207 4.7 10.9 1.0 C B:ILE205 4.8 10.7 1.0 CA B:ASP207 4.8 11.6 1.0 N B:GLU204 4.9 10.7 1.0 O A:HOH559 4.9 10.5 1.0 N B:PHE206 4.9 10.3 1.0 O B:HOH469 5.0 15.8 1.0 CB B:GLU204 5.0 11.7 1.0 CA B:ILE205 5.0 11.1 1.0 O A:SER175 5.0 11.1 1.0

Calcium binding site 4 out of 4 in the PSL1A-E64 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of PSL1A-E64 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca307 b:9.1 occ:0.50 O4 B:E64302 2.3 16.0 1.0 OD2 B:ASP209 2.3 12.8 1.0 OD1 A:ASP176 2.3 8.7 1.0 OD2 B:ASP207 2.5 12.4 1.0 O B:HOH595 2.5 13.2 1.0 O A:SER175 2.6 11.1 1.0 OD1 B:ASP207 3.0 9.4 1.0 CG B:ASP207 3.1 11.6 1.0 CG A:ASP176 3.2 10.1 1.0 C4 B:E64302 3.2 14.1 1.0 CA A:CA306 3.5 10.3 1.0 CG B:ASP209 3.6 12.4 1.0 C A:SER175 3.6 11.7 1.0 OD2 A:ASP176 3.7 11.2 1.0 C3 B:E64302 4.0 14.7 1.0 N1 B:E64302 4.1 14.3 1.0 CA A:ASP176 4.1 10.9 1.0 CB A:ASP176 4.2 10.0 1.0 O B:HOH428 4.3 19.7 1.0 C6 B:E64302 4.3 15.2 1.0 N A:ASP176 4.3 10.8 1.0 OD1 B:ASP209 4.3 11.2 1.0 CA B:GLU204 4.4 10.8 1.0 CB A:SER175 4.4 14.1 1.0 N2 B:E64302 4.4 26.4 1.0 CB B:ASP207 4.5 10.9 1.0 CA A:SER175 4.5 12.9 1.0 CB B:ASP209 4.5 11.4 1.0 O B:HOH523 4.7 14.1 1.0 OG A:SER175 4.7 12.7 1.0 N B:GLU204 4.7 10.7 1.0 O B:GLU204 4.8 12.1 1.0 C11 B:E64302 4.8 21.4 1.0 O3 B:E64302 4.9 15.5 1.0 C9 B:E64302 4.9 14.6 1.0 CG B:GLU204 4.9 12.7 1.0 N B:ASP209 4.9 11.1 1.0

G.Cordara, D.Manna, U.Krengel. Family of Papain-Like Fungal Chimerolectins with Distinct Ca(2+)-Dependent Activation Mechanism. Biochemistry V. 56 4689 2017.
ISSN: ISSN 1520-4995
PubMed: 28665586
DOI: 10.1021/ACS.BIOCHEM.7B00317