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

Protein crystallography data

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

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-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 1a4b

Go back to Copper Binding Sites List in 1a4b
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 1a4b

Go back to Copper Binding Sites List in 1a4b
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

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: Sun Dec 13 10:57:33 2020

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