Cobalt 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:

Calcium

(Ca)

3 atoms

The binding sites of Cobalt 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 Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide, PDB code: 6iav:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co201 b:41.9 occ:1.00 ND1 A:HIS117 2.0 33.2 1.0 ND1 A:HIS46 2.2 35.1 1.0 O A:GLY45 2.3 36.5 1.0 SG A:CYS112 2.3 31.5 1.0 CE1 A:HIS117 2.9 34.7 1.0 CG A:HIS117 3.0 34.1 1.0 CE1 A:HIS46 3.1 39.7 1.0 SD A:MET121 3.2 40.0 1.0 CG A:HIS46 3.2 36.8 1.0 CA A:HIS46 3.4 34.9 1.0 C A:GLY45 3.4 37.4 1.0 CB A:CYS112 3.4 29.4 1.0 CB A:HIS117 3.5 33.9 1.0 CB A:HIS46 3.6 35.4 1.0 CB A:PHE114 3.7 31.4 1.0 N A:HIS46 3.8 36.7 1.0 CE A:MET121 4.0 39.5 1.0 NE2 A:HIS117 4.0 36.7 1.0 CD2 A:HIS117 4.1 36.0 1.0 NE2 A:HIS46 4.4 40.9 1.0 CD2 A:HIS46 4.4 39.8 1.0 CG A:PHE114 4.6 33.1 1.0 C A:HIS46 4.6 33.1 1.0 N A:ASN47 4.7 33.2 1.0 CG A:MET121 4.7 40.7 1.0 CA A:GLY45 4.7 40.6 1.0 N A:PHE114 4.7 26.4 1.0 O A:MET44 4.8 50.5 1.0 CA A:PHE114 4.8 28.4 1.0 CA A:CYS112 4.8 27.7 1.0 CD1 A:PHE114 4.9 34.4 1.0 CA A:HIS117 4.9 37.3 1.0 N A:GLY45 4.9 46.0 1.0

Cobalt binding site 2 out of 4 in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co201 b:47.1 occ:1.00 ND1 B:HIS117 2.1 47.4 1.0 ND1 B:HIS46 2.1 38.7 1.0 SG B:CYS112 2.2 40.0 1.0 O B:GLY45 2.4 42.3 1.0 SD B:MET121 3.0 47.1 1.0 CE1 B:HIS46 3.0 40.7 1.0 CE1 B:HIS117 3.1 52.6 1.0 CG B:HIS117 3.1 48.8 1.0 CB B:CYS112 3.2 37.7 1.0 CG B:HIS46 3.2 38.4 1.0 CA B:HIS46 3.3 37.5 1.0 CB B:HIS117 3.4 47.1 1.0 C B:GLY45 3.4 42.9 1.0 CB B:HIS46 3.6 37.2 1.0 CE B:MET121 3.6 44.2 1.0 N B:HIS46 3.8 40.0 1.0 CB B:PHE114 3.9 38.1 1.0 NE2 B:HIS117 4.2 53.1 1.0 CD2 B:HIS117 4.2 50.9 1.0 NE2 B:HIS46 4.3 40.6 1.0 CD2 B:HIS46 4.3 39.5 1.0 C B:HIS46 4.5 36.2 1.0 N B:ASN47 4.6 34.6 1.0 CA B:CYS112 4.6 37.1 1.0 CG B:MET121 4.6 45.1 1.0 CG B:PHE114 4.7 39.5 1.0 CA B:GLY45 4.8 46.6 1.0 N B:PHE114 4.8 37.2 1.0 CA B:HIS117 4.9 47.9 1.0 O B:MET44 4.9 54.7 1.0 CA B:PHE114 5.0 38.3 1.0 CB B:MET121 5.0 43.3 1.0

Cobalt binding site 3 out of 4 in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co201 b:54.4 occ:1.00 ND1 C:HIS117 2.1 56.1 1.0 SG C:CYS112 2.2 53.7 1.0 O C:GLY45 2.2 64.6 1.0 ND1 C:HIS46 2.3 50.5 1.0 CE1 C:HIS117 3.0 53.4 1.0 CG C:HIS117 3.1 55.4 1.0 CE1 C:HIS46 3.2 56.0 1.0 CA C:HIS46 3.3 51.8 1.0 C C:GLY45 3.3 61.8 1.0 SD C:MET121 3.3 62.7 1.0 CG C:HIS46 3.4 51.5 1.0 CB C:CYS112 3.4 42.4 1.0 CB C:HIS117 3.4 58.7 1.0 CB C:PHE114 3.5 45.0 1.0 CB C:HIS46 3.7 50.4 1.0 N C:HIS46 3.7 54.8 1.0 CE C:MET121 4.2 70.5 1.0 NE2 C:HIS117 4.2 56.9 1.0 CD2 C:HIS117 4.2 57.1 1.0 CG C:PHE114 4.3 46.9 1.0 NE2 C:HIS46 4.4 54.8 1.0 CD2 C:HIS46 4.5 56.3 1.0 C C:HIS46 4.5 48.1 1.0 N C:ASN47 4.6 45.3 1.0 CA C:PHE114 4.6 46.6 1.0 N C:PHE114 4.7 44.4 1.0 CA C:GLY45 4.7 65.4 1.0 CD1 C:PHE114 4.8 46.0 1.0 CA C:CYS112 4.8 41.1 1.0 O C:MET44 4.9 80.4 1.0 CG C:MET121 4.9 63.0 1.0 N C:GLY45 5.0 69.8 1.0 CA C:HIS117 5.0 58.5 1.0

Cobalt binding site 4 out of 4 in the Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Co-Azurin From Pseudomonas Aeruginosa Treated with Hydrosulfide within 5.0Å range: probe atom residue distance (Å) B Occ D:Co201 b:44.2 occ:1.00 ND1 D:HIS46 2.1 34.6 1.0 ND1 D:HIS117 2.1 47.2 1.0 SG D:CYS112 2.4 38.0 1.0 O D:GLY45 2.7 54.4 1.0 SD D:MET121 2.8 47.7 1.0 CE1 D:HIS46 3.0 36.3 1.0 CE1 D:HIS117 3.1 50.8 1.0 CG D:HIS117 3.1 44.9 1.0 CG D:HIS46 3.2 35.0 1.0 CA D:HIS46 3.3 41.8 1.0 CB D:CYS112 3.4 24.4 1.0 CB D:HIS46 3.5 32.9 1.0 CB D:HIS117 3.5 40.9 1.0 C D:GLY45 3.6 52.0 1.0 CE D:MET121 3.7 48.7 1.0 CB D:PHE114 3.8 39.4 1.0 N D:HIS46 3.9 48.8 1.0 NE2 D:HIS117 4.2 51.9 1.0 NE2 D:HIS46 4.3 36.0 1.0 CD2 D:HIS117 4.3 48.3 1.0 CD2 D:HIS46 4.3 36.0 1.0 C D:HIS46 4.5 37.3 1.0 CG D:MET121 4.5 36.8 1.0 N D:PHE114 4.6 34.4 1.0 N D:ASN47 4.6 35.1 1.0 CG D:PHE114 4.8 42.1 1.0 CA D:CYS112 4.8 24.8 1.0 CA D:PHE114 4.8 37.0 1.0 O D:MET44 4.9 50.7 1.0 CA D:GLY45 5.0 54.9 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