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Copper in PDB 1a4a: Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at 16 Degrees Celsius

Protein crystallography data

The structure of Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at 16 Degrees Celsius, PDB code: 1a4a 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 / 1.89
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 75.820, 74.420, 98.460, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / n/a

Copper Binding Sites:

The binding sites of Copper atom in the Azurin Mutant with Met 121 Replaced By His, pH 6.5 Crystal Form, Data Collected at 16 Degrees Celsius (pdb code 1a4a). 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 16 Degrees Celsius, PDB code: 1a4a:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 1a4a

Go back to Copper Binding Sites List in 1a4a
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 16 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 16 Degrees Celsius within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu130

b:17.3
occ:1.00
ND1 A:HIS46 2.0 12.4 1.0
ND1 A:HIS117 2.1 14.9 1.0
SG A:CYS112 2.2 11.2 1.0
ND1 A:HIS121 2.3 20.5 1.0
CE1 A:HIS46 2.9 10.4 1.0
CB A:CYS112 3.0 13.8 1.0
CE1 A:HIS121 3.1 22.2 1.0
CG A:HIS46 3.1 12.2 1.0
CE1 A:HIS117 3.1 12.3 1.0
CG A:HIS117 3.1 14.6 1.0
CG A:HIS121 3.4 21.6 1.0
CB A:HIS117 3.4 13.2 1.0
CB A:HIS46 3.5 10.5 1.0
CA A:HIS46 3.8 12.0 1.0
CB A:HIS121 3.9 23.9 1.0
O A:GLY45 3.9 14.6 1.0
H A:ASN47 4.0 0.0 1.0
NE2 A:HIS46 4.1 11.5 1.0
NE2 A:HIS117 4.2 11.3 1.0
CD2 A:HIS46 4.2 12.2 1.0
NE2 A:HIS121 4.3 20.2 1.0
CD2 A:HIS117 4.3 13.1 1.0
CB A:PHE114 4.4 12.5 1.0
H A:PHE114 4.4 0.0 1.0
CA A:CYS112 4.5 12.9 1.0
CD2 A:HIS121 4.5 21.8 1.0
H2 A:HOH174 4.6 0.0 1.0
N A:HIS46 4.7 11.3 1.0
C A:GLY45 4.8 12.6 1.0
N A:ASN47 4.8 9.8 1.0
C A:HIS46 4.8 9.6 1.0
CA A:HIS117 4.9 15.9 1.0
C A:CYS112 4.9 13.4 1.0
HE2 A:HIS46 4.9 0.0 1.0

Copper binding site 2 out of 2 in 1a4a

Go back to Copper Binding Sites List in 1a4a
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 16 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 16 Degrees Celsius within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu130

b:14.8
occ:1.00
ND1 B:HIS46 2.0 10.7 1.0
ND1 B:HIS117 2.0 12.8 1.0
ND1 B:HIS121 2.2 12.0 1.0
SG B:CYS112 2.2 11.2 1.0
CE1 B:HIS46 2.9 9.2 1.0
CE1 B:HIS121 2.9 14.5 1.0
CE1 B:HIS117 3.0 11.5 1.0
CG B:HIS117 3.0 15.1 1.0
CG B:HIS46 3.1 6.8 1.0
CB B:CYS112 3.1 12.2 1.0
CG B:HIS121 3.3 14.1 1.0
CB B:HIS117 3.4 12.9 1.0
CB B:HIS46 3.6 5.8 1.0
CA B:HIS46 3.8 9.2 1.0
CB B:HIS121 3.8 15.2 1.0
O B:GLY45 3.8 12.8 1.0
H B:ASN47 4.0 0.0 1.0
NE2 B:HIS46 4.1 10.8 1.0
NE2 B:HIS117 4.1 9.5 1.0
NE2 B:HIS121 4.2 13.2 1.0
CD2 B:HIS117 4.2 13.7 1.0
CD2 B:HIS46 4.2 8.2 1.0
CD2 B:HIS121 4.4 13.7 1.0
CA B:CYS112 4.5 11.2 1.0
CB B:PHE114 4.5 11.8 1.0
H B:PHE114 4.6 0.0 1.0
H1 B:HOH158 4.7 0.0 1.0
C B:GLY45 4.7 12.0 1.0
N B:HIS46 4.7 11.8 1.0
CA B:HIS117 4.8 14.3 1.0
N B:ASN47 4.8 7.6 1.0
C B:HIS46 4.9 7.5 1.0
HE2 B:HIS46 4.9 0.0 1.0
HE2 B:HIS121 5.0 0.0 1.0
HE2 B:HIS117 5.0 0.0 1.0

Reference:

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
Page generated: Wed Sep 2 21:31:47 2020
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