Zinc in PDB 2iwe: Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin

The structure of Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin, PDB code: 2iwe was solved by T.E.De Jongh, A.M.M.Van Roon, M.Prudencio, M.Ubbink, G.W.Canters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.66 / 2.83
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.664, 49.718, 66.065, 109.25, 94.96, 99.24
R / Rfree (%)	19.2 / 23.3

The binding sites of Zinc atom in the Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin (pdb code 2iwe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin, PDB code: 2iwe:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1129 b:33.2 occ:1.00 O A:GLY45 2.0 34.4 1.0 ND1 A:HIS46 2.1 26.2 1.0 N4 A:2IH1001 2.1 33.6 1.0 C5 A:2IH1001 2.3 35.5 1.0 SG A:CYS112 2.3 30.2 1.0 CE1 A:HIS46 3.0 25.2 1.0 C A:GLY45 3.1 29.6 1.0 CG A:HIS46 3.1 25.6 1.0 CA A:HIS46 3.1 26.9 1.0 SD A:MET121 3.3 41.3 0.5 C3 A:2IH1001 3.3 35.0 1.0 CB A:CYS112 3.4 30.1 1.0 CB A:HIS46 3.4 24.9 1.0 N A:HIS46 3.5 28.5 1.0 SD A:MET121 3.6 33.4 0.5 C1 A:2IH1001 3.6 36.4 1.0 CB A:PHE114 3.8 25.2 1.0 N2 A:2IH1001 4.1 35.3 1.0 NE2 A:HIS46 4.1 25.1 1.0 CD2 A:HIS46 4.2 25.9 1.0 CA A:GLY45 4.4 25.7 1.0 C A:HIS46 4.4 29.8 1.0 CG A:PHE114 4.4 26.5 1.0 N A:GLY45 4.6 24.3 1.0 N A:ASN47 4.6 32.7 1.0 CG A:MET121 4.6 40.1 0.5 CG A:MET121 4.7 33.2 0.5 CE A:MET121 4.7 41.5 0.5 O A:MET44 4.7 25.5 1.0 C A:MET44 4.8 25.8 1.0 CA A:CYS112 4.8 28.4 1.0 CD1 A:PHE114 4.9 25.7 1.0 CE A:MET121 4.9 33.5 0.5 N A:PHE114 5.0 26.9 1.0 CA A:PHE114 5.0 26.4 1.0

Zinc binding site 2 out of 4 in the Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn1129 b:37.5 occ:1.00 O D:GLY45 2.0 34.2 1.0 ND1 D:HIS46 2.0 26.4 1.0 N4 D:2IH1001 2.1 42.8 1.0 C3 D:2IH1001 2.3 42.9 1.0 SG D:CYS112 2.3 30.8 1.0 CE1 D:HIS46 2.9 25.0 1.0 CG D:HIS46 3.0 25.5 1.0 C D:GLY45 3.0 29.5 1.0 CA D:HIS46 3.1 26.8 1.0 CB D:HIS46 3.4 24.7 1.0 C5 D:2IH1001 3.4 44.2 1.0 N D:HIS46 3.4 28.5 1.0 CB D:CYS112 3.4 30.4 1.0 SD D:MET121 3.5 36.0 1.0 N2 D:2IH1001 3.6 42.5 1.0 CB D:PHE114 3.9 25.4 1.0 NE2 D:HIS46 4.0 25.2 1.0 CD2 D:HIS46 4.1 25.7 1.0 C1 D:2IH1001 4.1 42.3 1.0 CA D:GLY45 4.3 26.0 1.0 C D:HIS46 4.4 29.7 1.0 CE D:MET121 4.4 33.0 1.0 CG D:PHE114 4.5 26.5 1.0 N D:GLY45 4.6 24.3 1.0 N D:ASN47 4.6 32.9 1.0 C6 D:2IH1001 4.6 41.8 1.0 C D:MET44 4.8 25.8 1.0 O D:MET44 4.8 25.4 1.0 CA D:CYS112 4.8 28.8 1.0 CD1 D:PHE114 5.0 26.0 1.0 CG D:MET121 5.0 36.7 1.0

Zinc binding site 3 out of 4 in the Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn1129 b:36.0 occ:1.00 O G:GLY45 2.0 34.1 1.0 N15 D:2IH1001 2.1 40.0 1.0 ND1 G:HIS46 2.1 26.2 1.0 SG G:CYS112 2.3 30.3 1.0 CE1 G:HIS46 3.0 25.0 1.0 C16 D:2IH1001 3.1 41.9 1.0 C G:GLY45 3.1 29.3 1.0 C14 D:2IH1001 3.1 43.7 1.0 CG G:HIS46 3.1 25.2 1.0 CA G:HIS46 3.2 26.8 1.0 SD G:MET121 3.2 34.6 1.0 CB G:CYS112 3.3 30.2 1.0 CB G:HIS46 3.5 24.9 1.0 N G:HIS46 3.5 28.5 1.0 CB G:PHE114 3.7 25.3 1.0 NE2 G:HIS46 4.1 24.9 1.0 N12 D:2IH1001 4.2 43.1 1.0 C13 D:2IH1001 4.2 44.1 1.0 CD2 G:HIS46 4.2 25.3 1.0 CG G:PHE114 4.3 26.2 1.0 CA G:GLY45 4.4 25.9 1.0 C G:HIS46 4.4 29.6 1.0 CE G:MET121 4.5 32.5 1.0 CG G:MET121 4.6 35.2 1.0 N G:ASN47 4.6 32.2 1.0 N G:GLY45 4.6 24.9 1.0 CA G:CYS112 4.7 28.4 1.0 CD1 G:PHE114 4.8 25.9 1.0 C G:MET44 4.9 25.9 1.0 O G:MET44 4.9 25.6 1.0 N G:PHE114 4.9 26.8 1.0 CA G:PHE114 4.9 26.5 1.0 CD2 G:PHE114 5.0 27.9 1.0

Zinc binding site 4 out of 4 in the Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of A Cavity Mutant (H117G) of Pseudomonas Aeruginosa Azurin within 5.0Å range: probe atom residue distance (Å) B Occ J:Zn1129 b:32.6 occ:1.00 O J:GLY45 2.0 33.9 1.0 ND1 J:HIS46 2.1 26.5 1.0 N15 A:2IH1001 2.1 29.3 1.0 SG J:CYS112 2.3 29.8 1.0 C16 A:2IH1001 2.5 29.3 1.0 C J:GLY45 3.0 29.5 1.0 CE1 J:HIS46 3.0 25.2 1.0 CA J:HIS46 3.1 26.9 1.0 CG J:HIS46 3.1 26.0 1.0 C14 A:2IH1001 3.4 28.3 1.0 CB J:CYS112 3.4 30.5 1.0 N J:HIS46 3.4 28.2 1.0 CB J:HIS46 3.4 25.1 1.0 CB J:PHE114 3.7 25.0 1.0 SD J:MET121 3.7 31.6 1.0 N12 A:2IH1001 3.8 29.6 1.0 NE2 J:HIS46 4.1 25.0 1.0 CD2 J:HIS46 4.2 25.8 1.0 C13 A:2IH1001 4.2 28.3 1.0 CA J:GLY45 4.3 26.1 1.0 CG J:PHE114 4.3 26.0 1.0 C J:HIS46 4.4 29.8 1.0 N J:ASN47 4.6 32.6 1.0 O J:MET44 4.6 25.9 1.0 N J:GLY45 4.6 24.2 1.0 C J:MET44 4.7 26.1 1.0 CA J:CYS112 4.8 28.7 1.0 CD1 J:PHE114 4.8 25.8 1.0 CE J:MET121 4.9 29.1 1.0 N J:PHE114 4.9 26.1 1.0 CA J:PHE114 4.9 26.2 1.0 CG J:MET121 5.0 31.0 1.0 C11 A:2IH1001 5.0 29.1 1.0

T.E.De Jongh, A.M.M.Van Roon, M.Prudencio, M.Ubbink, G.W.Canters. Click-Chemistry with An Active Site Variant of Azurin Eur.J.Inorg.Chem. V.2006 3861 2006.
ISSN: ISSN 1434-1948
DOI: 10.1002/EJIC.200600574