Copper in PDB 1a4b: Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius

The structure of Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius, PDB code: 1a4b was solved by A.Messerschmidt, L.Prade, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.91
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.560, 73.570, 97.630, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / n/a

The binding sites of Copper atom in the Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius (pdb code 1a4b). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius, PDB code: 1a4b:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu130 b:17.3 occ:1.00 ND1 A:HIS117 2.0 7.6 1.0 ND1 A:HIS46 2.1 11.1 1.0 ND1 A:HIS121 2.2 11.1 1.0 SG A:CYS112 2.2 7.2 1.0 CE1 A:HIS117 3.0 6.5 1.0 CB A:CYS112 3.0 7.8 1.0 CE1 A:HIS121 3.0 9.3 1.0 CG A:HIS117 3.0 6.8 1.0 CE1 A:HIS46 3.0 9.6 1.0 CG A:HIS46 3.1 9.8 1.0 CG A:HIS121 3.4 12.7 1.0 CB A:HIS117 3.4 3.2 1.0 CB A:HIS46 3.4 10.1 1.0 CA A:HIS46 3.7 6.4 1.0 O A:GLY45 3.8 7.2 1.0 CB A:HIS121 3.9 12.0 1.0 H A:ASN47 4.0 20.0 1.0 NE2 A:HIS117 4.1 6.7 1.0 NE2 A:HIS46 4.2 11.8 1.0 CD2 A:HIS117 4.2 7.8 1.0 NE2 A:HIS121 4.2 9.8 1.0 CD2 A:HIS46 4.2 10.2 1.0 CB A:PHE114 4.4 2.6 1.0 CA A:CYS112 4.5 4.6 1.0 CD2 A:HIS121 4.5 14.3 1.0 H A:PHE114 4.5 20.0 1.0 C A:GLY45 4.6 8.5 1.0 N A:HIS46 4.7 7.9 1.0 N A:ASN47 4.7 5.7 1.0 C A:HIS46 4.8 7.2 1.0 HH A:TYR15 4.9 20.0 1.0 CA A:HIS117 4.9 6.4 1.0 C A:CYS112 4.9 7.4 1.0 HE2 A:HIS117 5.0 20.0 1.0

Copper binding site 2 out of 2 in the Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at-180 Degrees Celsius within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu130 b:14.8 occ:1.00 ND1 B:HIS117 2.1 13.1 1.0 SG B:CYS112 2.1 8.2 1.0 ND1 B:HIS46 2.2 13.1 1.0 ND1 B:HIS121 2.3 14.0 1.0 CB B:CYS112 3.0 6.3 1.0 CG B:HIS117 3.0 13.1 1.0 CE1 B:HIS117 3.1 14.1 1.0 CE1 B:HIS121 3.1 12.8 1.0 CE1 B:HIS46 3.1 8.8 1.0 CG B:HIS46 3.2 5.4 1.0 CB B:HIS117 3.3 12.1 1.0 CG B:HIS121 3.4 12.1 1.0 CB B:HIS46 3.6 6.5 1.0 CA B:HIS46 3.7 6.8 1.0 O B:GLY45 3.8 10.1 1.0 CB B:HIS121 3.8 14.3 1.0 H B:ASN47 3.9 20.0 1.0 NE2 B:HIS117 4.2 12.9 1.0 CD2 B:HIS117 4.2 13.9 1.0 NE2 B:HIS121 4.3 13.3 1.0 NE2 B:HIS46 4.3 7.6 1.0 CB B:PHE114 4.4 4.5 1.0 CD2 B:HIS46 4.4 6.8 1.0 CA B:CYS112 4.4 9.5 1.0 CD2 B:HIS121 4.5 13.3 1.0 H B:PHE114 4.5 20.0 1.0 C B:GLY45 4.7 9.4 1.0 N B:ASN47 4.7 4.6 1.0 N B:HIS46 4.7 6.4 1.0 CA B:HIS117 4.7 11.3 1.0 C B:HIS46 4.7 7.4 1.0 C B:CYS112 4.9 8.4 1.0

A.Messerschmidt, L.Prade, S.J.Kroes, J.Sanders-Loehr, R.Huber, G.W.Canters. Rack-Induced Metal Binding Vs. Flexibility: MET121HIS Azurin Crystal Structures at Different pH. Proc.Natl.Acad.Sci.Usa V. 95 3443 1998.
ISSN: ISSN 0027-8424
PubMed: 9520385
DOI: 10.1073/PNAS.95.7.3443