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Copper in PDB 1a4c: Azurin Mutant with Met 121 Replaced By His, pH 3.5 Crystal Form, Data Collected at-180 Degrees Celsius

Protein crystallography data

The structure of Azurin Mutant with Met 121 Replaced By His, pH 3.5 Crystal Form, Data Collected at-180 Degrees Celsius, PDB code: 1a4c 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 / 2.45
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 99.600, 100.010, 53.940, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / n/a

Copper Binding Sites:

The binding sites of Copper atom in the Azurin Mutant with Met 121 Replaced By His, pH 3.5 Crystal Form, Data Collected at-180 Degrees Celsius (pdb code 1a4c). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Azurin Mutant with Met 121 Replaced By His, pH 3.5 Crystal Form, Data Collected at-180 Degrees Celsius, PDB code: 1a4c:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1a4c

Go back to Copper Binding Sites List in 1a4c
Copper binding site 1 out of 4 in the Azurin Mutant with Met 121 Replaced By His, pH 3.5 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 3.5 Crystal Form, Data Collected at-180 Degrees Celsius within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu130

b:16.9
occ:1.00
ND1 A:HIS117 1.9 8.9 1.0
ND1 A:HIS46 2.1 4.4 1.0
SG A:CYS112 2.3 11.6 1.0
ND1 A:HIS121 2.3 11.1 1.0
CE1 A:HIS117 2.9 5.5 1.0
CG A:HIS117 2.9 9.9 1.0
CE1 A:HIS46 3.0 3.6 1.0
CG A:HIS46 3.1 5.9 1.0
CB A:CYS112 3.1 9.2 1.0
CE1 A:HIS121 3.1 13.2 1.0
CB A:HIS117 3.3 8.0 1.0
CG A:HIS121 3.3 12.5 1.0
CB A:HIS46 3.5 9.2 1.0
O A:GLY45 3.7 11.5 1.0
CA A:HIS46 3.8 10.6 1.0
CB A:HIS121 3.8 14.3 1.0
NE2 A:HIS117 4.0 8.9 1.0
H A:ASN47 4.1 0.0 1.0
CD2 A:HIS117 4.1 4.8 1.0
NE2 A:HIS46 4.1 4.0 1.0
CD2 A:HIS46 4.2 2.0 1.0
NE2 A:HIS121 4.3 7.2 1.0
CB A:PHE114 4.4 12.0 1.0
CD2 A:HIS121 4.4 11.3 1.0
CA A:CYS112 4.6 11.1 1.0
C A:GLY45 4.6 10.6 1.0
CA A:HIS117 4.7 12.2 1.0
N A:HIS46 4.7 11.2 1.0
H A:PHE114 4.7 0.0 1.0
N A:ASN47 4.8 11.4 1.0
HE2 A:HIS117 4.9 0.0 1.0
C A:HIS46 4.9 11.4 1.0
H2 A:HOH166 4.9 0.0 1.0

Copper binding site 2 out of 4 in 1a4c

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Copper binding site 2 out of 4 in the Azurin Mutant with Met 121 Replaced By His, pH 3.5 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 3.5 Crystal Form, Data Collected at-180 Degrees Celsius within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu130

b:15.2
occ:1.00
ND1 B:HIS117 1.9 12.3 1.0
SG B:CYS112 2.1 10.2 1.0
ND1 B:HIS46 2.1 9.6 1.0
ND1 B:HIS121 2.3 12.8 1.0
CE1 B:HIS117 2.9 12.5 1.0
CG B:HIS117 2.9 13.9 1.0
CB B:CYS112 2.9 8.8 1.0
CE1 B:HIS46 3.1 8.8 1.0
CG B:HIS46 3.2 9.3 1.0
CE1 B:HIS121 3.2 13.3 1.0
CB B:HIS117 3.3 13.3 1.0
CG B:HIS121 3.3 9.8 1.0
CB B:HIS46 3.6 5.8 1.0
CB B:HIS121 3.7 17.4 1.0
O B:GLY45 3.8 14.0 1.0
CA B:HIS46 3.8 7.8 1.0
H B:ASN47 4.0 0.0 1.0
NE2 B:HIS117 4.0 12.4 1.0
CD2 B:HIS117 4.1 11.4 1.0
NE2 B:HIS46 4.2 8.9 1.0
CD2 B:HIS46 4.3 5.1 1.0
NE2 B:HIS121 4.3 12.9 1.0
CA B:CYS112 4.4 10.7 1.0
CD2 B:HIS121 4.4 9.6 1.0
CB B:PHE114 4.5 18.3 1.0
H B:PHE114 4.5 0.0 1.0
C B:GLY45 4.6 11.6 1.0
N B:HIS46 4.7 9.9 1.0
CA B:HIS117 4.7 15.1 1.0
N B:ASN47 4.7 11.3 1.0
HE2 B:HIS117 4.8 0.0 1.0
C B:CYS112 4.9 13.1 1.0
C B:HIS46 4.9 10.6 1.0
O B:CYS112 4.9 12.9 1.0

Copper binding site 3 out of 4 in 1a4c

Go back to Copper Binding Sites List in 1a4c
Copper binding site 3 out of 4 in the Azurin Mutant with Met 121 Replaced By His, pH 3.5 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 3 of Azurin Mutant with Met 121 Replaced By His, pH 3.5 Crystal Form, Data Collected at-180 Degrees Celsius within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu130

b:26.4
occ:1.00
ND1 C:HIS117 1.9 24.6 1.0
SG C:CYS112 2.1 19.8 1.0
ND1 C:HIS46 2.1 17.7 1.0
O1 C:NO3132 2.1 27.5 1.0
CE1 C:HIS117 2.9 19.6 1.0
CG C:HIS117 3.0 21.7 1.0
CE1 C:HIS46 3.0 15.4 1.0
CB C:CYS112 3.1 13.5 1.0
CG C:HIS46 3.1 12.1 1.0
N C:NO3132 3.3 32.5 1.0
CB C:HIS117 3.4 24.0 1.0
CA C:HIS46 3.4 16.8 1.0
O C:GLY45 3.4 20.4 1.0
CB C:HIS46 3.5 14.6 1.0
H C:ASN47 3.8 0.0 1.0
O2 C:NO3132 3.8 36.5 1.0
NE2 C:HIS117 4.0 23.4 1.0
CB C:PHE114 4.0 14.2 1.0
CD2 C:HIS117 4.1 20.9 1.0
O3 C:NO3132 4.1 29.4 1.0
NE2 C:HIS46 4.2 13.1 1.0
CD2 C:HIS46 4.2 10.0 1.0
H C:PHE114 4.3 0.0 1.0
C C:GLY45 4.3 17.2 1.0
N C:HIS46 4.3 16.2 1.0
N C:ASN47 4.4 19.3 1.0
C C:HIS46 4.5 16.8 1.0
CA C:CYS112 4.5 16.9 1.0
CG C:PHE114 4.8 17.9 1.0
HE2 C:HIS117 4.9 0.0 1.0
C C:CYS112 4.9 15.7 1.0
CA C:HIS117 4.9 22.0 1.0
CG C:MET13 4.9 44.0 1.0

Copper binding site 4 out of 4 in 1a4c

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Copper binding site 4 out of 4 in the Azurin Mutant with Met 121 Replaced By His, pH 3.5 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 4 of Azurin Mutant with Met 121 Replaced By His, pH 3.5 Crystal Form, Data Collected at-180 Degrees Celsius within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu130

b:21.0
occ:1.00
ND1 D:HIS117 2.0 21.1 1.0
ND1 D:HIS46 2.1 16.8 1.0
SG D:CYS112 2.2 15.3 1.0
O1 D:NO3132 2.3 24.6 1.0
CG D:HIS117 3.0 18.8 1.0
CE1 D:HIS117 3.0 19.3 1.0
CE1 D:HIS46 3.0 11.4 1.0
CB D:CYS112 3.1 17.2 1.0
CG D:HIS46 3.1 10.7 1.0
CB D:HIS117 3.3 23.3 1.0
O D:GLY45 3.4 17.3 1.0
N D:NO3132 3.4 30.0 1.0
CA D:HIS46 3.4 13.6 1.0
CB D:HIS46 3.5 10.3 1.0
H D:ASN47 3.7 0.0 1.0
O3 D:NO3132 3.7 28.7 1.0
CB D:PHE114 4.0 14.7 1.0
NE2 D:HIS117 4.1 18.5 1.0
NE2 D:HIS46 4.1 8.2 1.0
CD2 D:HIS117 4.2 15.4 1.0
CD2 D:HIS46 4.2 7.5 1.0
C D:GLY45 4.3 14.1 1.0
N D:HIS46 4.4 14.4 1.0
N D:ASN47 4.4 17.4 1.0
H D:PHE114 4.4 0.0 1.0
O2 D:NO3132 4.4 30.4 1.0
C D:HIS46 4.4 13.7 1.0
CA D:CYS112 4.5 19.0 1.0
CG D:PHE114 4.7 18.7 1.0
CA D:HIS117 4.8 21.1 1.0
CG D:MET13 4.9 54.2 1.0
C D:CYS112 4.9 21.8 1.0
CB D:MET13 5.0 49.1 1.0
HH D:TYR15 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 21:32:06 2020
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