Calcium in PDB 6iav: Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide

The structure of Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide, PDB code: 6iav was solved by G.J.Palm, D.Kohlhause, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.48 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.429, 59.950, 82.520, 90.00, 90.43, 90.00
R / Rfree (%)	25 / 31

The structure of Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide also contains other interesting chemical elements:

Cobalt

(Co)

4 atoms

The binding sites of Calcium atom in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide (pdb code 6iav). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide, PDB code: 6iav:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:60.4 occ:1.00 O A:SER94 2.6 39.1 1.0 OD1 A:ASP93 3.3 42.8 1.0 C A:SER94 3.8 37.7 1.0 OD2 A:ASP93 3.9 38.0 1.0 CG A:ASP93 4.0 40.5 1.0 N A:SER94 4.2 39.4 1.0 CA A:SER94 4.5 39.7 1.0 CB A:SER94 4.5 42.6 1.0 N A:VAL95 4.8 33.8 1.0 CA A:VAL95 4.9 34.8 1.0

Calcium binding site 2 out of 3 in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:71.9 occ:1.00 O B:SER94 2.6 48.2 1.0 OD1 B:ASP93 3.2 57.9 1.0 C B:SER94 3.7 46.8 1.0 OD2 B:ASP93 3.8 51.9 1.0 CG B:ASP93 3.9 51.3 1.0 N B:SER94 4.0 47.6 1.0 CA B:SER94 4.3 47.5 1.0 CB B:SER94 4.3 51.1 1.0 N B:VAL95 4.6 46.7 1.0 CA B:VAL95 4.8 46.7 1.0

Calcium binding site 3 out of 3 in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:91.4 occ:1.00 O C:SER94 2.6 49.2 1.0 O A:GLY105 2.9 96.2 1.0 OD1 C:ASP93 3.2 66.0 1.0 C C:SER94 3.8 53.0 1.0 OE2 A:GLU106 3.9 97.5 1.0 OD2 C:ASP93 4.0 56.5 1.0 CG C:ASP93 4.0 58.1 1.0 C A:GLY105 4.0 77.8 1.0 CA A:GLU106 4.2 68.7 1.0 N C:SER94 4.2 58.6 1.0 CA C:SER94 4.4 54.8 1.0 N A:GLU106 4.5 73.6 1.0 CB C:SER94 4.5 56.4 1.0 OE1 A:GLN107 4.6 57.1 1.0 N A:GLN107 4.8 57.1 1.0 C A:GLU106 4.8 61.0 1.0 N C:VAL95 4.9 45.8 1.0 CG A:GLN107 4.9 54.3 1.0 CD A:GLU106 4.9 82.5 1.0

M.Strianese, G.J.Palm, D.Kohlhause, L.A.Ndamba, L.C.Tabares, C.Pellecchia. Azurin and Hs-: Towards Implementation of A Sensor For Hs- Detection. Eur J Inorg Chem 2019.
ISSN: ESSN 1099-0682
DOI: 10.1002/EJIC.201801399