Nickel in PDB 1nzr: Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution

The structure of Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution, PDB code: 1nzr was solved by L.-C.Tsai, L.Sjolin, V.Langer, N.Bonander, B.G.Karlsson, T.Vanngard, C.Hammann, H.Nar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.400, 80.400, 110.300, 90.00, 90.00, 90.00
R / Rfree (%)	17 / n/a

The binding sites of Nickel atom in the Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution (pdb code 1nzr). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution, PDB code: 1nzr:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni129 b:14.3 occ:1.00 ND1 A:HIS46 2.0 20.0 1.0 ND1 A:HIS117 2.2 11.4 1.0 O A:GLY45 2.3 8.4 1.0 SG A:CYS112 2.6 14.8 1.0 CE1 A:HIS46 2.7 16.6 1.0 CE1 A:HIS117 3.0 9.4 1.0 CG A:HIS46 3.2 18.2 1.0 CG A:HIS117 3.2 11.3 1.0 SD A:MET121 3.3 7.9 1.0 C A:GLY45 3.5 10.7 1.0 CA A:HIS46 3.5 12.9 1.0 CB A:HIS117 3.6 9.5 1.0 CB A:CYS112 3.6 12.1 1.0 CB A:PHE114 3.8 8.7 1.0 CB A:HIS46 3.8 14.8 1.0 NE2 A:HIS46 3.9 18.4 1.0 N A:HIS46 3.9 10.7 1.0 NE2 A:HIS117 4.1 13.6 1.0 CD2 A:HIS46 4.2 18.6 1.0 CD2 A:HIS117 4.3 13.0 1.0 CE A:MET121 4.3 2.0 1.0 H A:ASN47 4.4 20.0 1.0 H A:PHE114 4.4 20.0 1.0 CG A:PHE114 4.5 8.7 1.0 CA A:GLY45 4.7 11.2 1.0 O A:MET44 4.7 9.8 1.0 HE2 A:HIS46 4.7 20.0 1.0 C A:HIS46 4.7 13.6 1.0 N A:GLY45 4.8 11.9 1.0 C A:MET44 4.8 11.0 1.0 CG A:MET121 4.8 9.4 1.0 CD1 A:PHE114 4.8 7.3 1.0 N A:ASN47 4.9 13.2 1.0 H A:HIS46 4.9 20.0 1.0 HE2 A:HIS117 5.0 20.0 1.0 N A:PHE114 5.0 11.3 1.0 CA A:PHE114 5.0 10.2 1.0

Nickel binding site 2 out of 4 in the Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni129 b:15.6 occ:1.00 ND1 B:HIS117 2.0 12.5 1.0 ND1 B:HIS46 2.2 17.1 1.0 O B:GLY45 2.3 11.3 1.0 SG B:CYS112 2.5 13.3 1.0 CE1 B:HIS117 2.7 10.3 1.0 CE1 B:HIS46 3.1 14.1 1.0 CG B:HIS117 3.2 12.3 1.0 CG B:HIS46 3.3 17.5 1.0 SD B:MET121 3.3 8.1 1.0 C B:GLY45 3.4 13.1 1.0 CA B:HIS46 3.4 13.4 1.0 CB B:PHE114 3.7 10.3 1.0 CB B:CYS112 3.7 9.4 1.0 CB B:HIS117 3.7 11.1 1.0 CB B:HIS46 3.7 14.6 1.0 N B:HIS46 3.8 12.9 1.0 NE2 B:HIS117 3.9 10.9 1.0 CD2 B:HIS117 4.2 11.9 1.0 NE2 B:HIS46 4.2 15.0 1.0 CE B:MET121 4.2 3.1 1.0 H B:ASN47 4.2 20.0 1.0 H B:PHE114 4.3 20.0 1.0 CG B:PHE114 4.4 8.5 1.0 CD2 B:HIS46 4.4 15.6 1.0 O B:MET44 4.6 12.7 1.0 CA B:GLY45 4.6 11.8 1.0 C B:HIS46 4.7 13.3 1.0 N B:GLY45 4.7 11.1 1.0 HE2 B:HIS117 4.7 20.0 1.0 C B:MET44 4.7 12.4 1.0 H B:HIS46 4.8 20.0 1.0 N B:ASN47 4.8 13.4 1.0 CG B:MET121 4.8 4.9 1.0 CD1 B:PHE114 4.9 7.9 1.0 CA B:PHE114 4.9 9.3 1.0 N B:PHE114 4.9 10.3 1.0

Nickel binding site 3 out of 4 in the Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni129 b:12.9 occ:1.00 ND1 C:HIS117 2.0 11.7 1.0 ND1 C:HIS46 2.2 13.3 1.0 SG C:CYS112 2.4 11.2 1.0 O C:GLY45 2.6 8.8 1.0 CE1 C:HIS117 2.9 11.3 1.0 CG C:HIS117 3.1 11.2 1.0 CE1 C:HIS46 3.1 12.4 1.0 CG C:HIS46 3.2 12.0 1.0 CA C:HIS46 3.3 11.1 1.0 SD C:MET121 3.4 7.9 1.0 CB C:HIS117 3.6 9.5 1.0 C C:GLY45 3.6 8.7 1.0 CB C:HIS46 3.6 11.1 1.0 CB C:CYS112 3.6 6.4 1.0 CB C:PHE114 3.7 8.9 1.0 N C:HIS46 3.9 9.8 1.0 NE2 C:HIS117 4.0 13.5 1.0 H C:ASN47 4.1 20.0 1.0 CD2 C:HIS117 4.2 11.9 1.0 NE2 C:HIS46 4.3 14.2 1.0 CE C:MET121 4.4 7.7 1.0 CD2 C:HIS46 4.4 12.1 1.0 H C:PHE114 4.4 20.0 1.0 CG C:PHE114 4.5 7.7 1.0 C C:HIS46 4.6 12.7 1.0 N C:ASN47 4.7 13.1 1.0 CA C:GLY45 4.8 8.1 1.0 H C:HIS46 4.8 20.0 1.0 HE2 C:HIS117 4.9 20.0 1.0 CA C:PHE114 4.9 6.9 1.0 N C:GLY45 4.9 9.4 1.0 N C:PHE114 4.9 8.0 1.0 CG C:MET121 5.0 10.7 1.0 O C:PHE114 5.0 8.4 1.0 CA C:CYS112 5.0 8.1 1.0

Nickel binding site 4 out of 4 in the Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Crystal Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Ni129 b:14.6 occ:1.00 ND1 D:HIS117 2.1 5.5 1.0 ND1 D:HIS46 2.2 11.8 1.0 O D:GLY45 2.3 2.0 1.0 SG D:CYS112 2.4 10.7 1.0 CE1 D:HIS117 2.9 7.5 1.0 CE1 D:HIS46 3.1 12.1 1.0 CG D:HIS117 3.2 6.0 1.0 CG D:HIS46 3.2 12.2 1.0 C D:GLY45 3.3 6.3 1.0 SD D:MET121 3.3 7.8 1.0 CA D:HIS46 3.3 9.5 1.0 CB D:HIS117 3.7 8.0 1.0 CB D:HIS46 3.7 8.9 1.0 N D:HIS46 3.7 6.0 1.0 CB D:CYS112 3.7 9.9 1.0 CB D:PHE114 3.8 8.0 1.0 NE2 D:HIS117 4.1 7.7 1.0 H D:ASN47 4.2 20.0 1.0 CE D:MET121 4.2 3.0 1.0 NE2 D:HIS46 4.2 14.1 1.0 CD2 D:HIS117 4.3 7.0 1.0 H D:PHE114 4.3 20.0 1.0 CD2 D:HIS46 4.4 11.2 1.0 CG D:PHE114 4.5 5.4 1.0 C D:HIS46 4.6 10.2 1.0 CA D:GLY45 4.6 7.1 1.0 H D:HIS46 4.7 20.0 1.0 O D:MET44 4.7 12.8 1.0 N D:ASN47 4.7 10.7 1.0 N D:GLY45 4.9 9.8 1.0 CG D:MET121 4.9 6.5 1.0 C D:MET44 4.9 10.9 1.0 N D:PHE114 4.9 8.3 1.0 HE2 D:HIS117 4.9 20.0 1.0 CA D:PHE114 5.0 6.6 1.0

L.C.Tsai, L.Sjolin, V.Langer, N.Bonander, B.G.Karlsson, T.Vanngard, C.Hammann, H.Nar. Structure of the Azurin Mutant Nickel-TRP48MET From Pseudomonas Aeruginosa at 2.2 A Resolution. Acta Crystallogr.,Sect.D V. 51 711 1995.
ISSN: ISSN 0907-4449
PubMed: 15299800
DOI: 10.1107/S0907444995001041