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Copper in PDB 1azn: Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution

Protein crystallography data

The structure of Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution, PDB code: 1azn was solved by L.-C.Tsai, L.Sjolin, V.Langer, T.Pascher, H.Nar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.000, 83.600, 66.400, 90.00, 110.50, 90.00
R / Rfree (%) 18.5 / n/a

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution (pdb code 1azn). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution, PDB code: 1azn:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1azn

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Copper binding site 1 out of 4 in the Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu200

b:36.1
occ:1.00
ND1 A:HIS46 2.2 26.6 1.0
SG A:CYS112 2.2 15.6 1.0
ND1 A:HIS117 2.6 32.9 1.0
CB A:CYS112 2.7 15.0 1.0
SD A:MET121 2.9 26.3 1.0
CE1 A:HIS46 2.9 27.1 1.0
O A:GLY45 3.1 24.2 1.0
CG A:HIS46 3.3 25.4 1.0
CG A:HIS117 3.6 31.6 1.0
CE1 A:HIS117 3.6 33.1 1.0
CB A:HIS117 3.7 29.1 1.0
CA A:HIS46 3.7 20.8 1.0
CB A:HIS46 3.8 22.6 1.0
C A:GLY45 4.1 24.3 1.0
CG A:MET121 4.1 25.8 1.0
NE2 A:HIS46 4.1 27.4 1.0
CB A:MET121 4.2 26.0 1.0
CA A:CYS112 4.2 16.4 1.0
CE A:MET121 4.3 27.0 1.0
CD2 A:HIS46 4.3 26.9 1.0
N A:HIS46 4.3 22.9 1.0
CB A:ALA114 4.5 24.5 1.0
N A:ASN47 4.6 16.6 1.0
CD2 A:HIS117 4.7 32.7 1.0
C A:HIS46 4.7 18.6 1.0
NE2 A:HIS117 4.7 33.1 1.0
C A:CYS112 4.9 17.5 1.0
N A:CYS112 5.0 15.8 1.0

Copper binding site 2 out of 4 in 1azn

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Copper binding site 2 out of 4 in the Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu200

b:40.4
occ:1.00
ND1 B:HIS46 2.1 26.0 1.0
SG B:CYS112 2.2 16.1 1.0
ND1 B:HIS117 2.5 33.0 1.0
O B:GLY45 2.8 25.7 1.0
CE1 B:HIS46 2.8 26.3 1.0
SD B:MET121 3.1 25.0 1.0
CG B:HIS46 3.2 26.0 1.0
CB B:CYS112 3.2 14.4 1.0
CE1 B:HIS117 3.4 33.7 1.0
CG B:HIS117 3.5 31.6 1.0
CA B:HIS46 3.6 23.6 1.0
CB B:HIS117 3.6 28.9 1.0
C B:GLY45 3.7 25.6 1.0
CB B:HIS46 3.8 24.7 1.0
NE2 B:HIS46 4.0 26.5 1.0
N B:HIS46 4.1 24.6 1.0
CD2 B:HIS46 4.2 26.4 1.0
CE B:MET121 4.3 25.0 1.0
NE2 B:HIS117 4.5 33.6 1.0
CB B:ALA114 4.5 21.1 1.0
CD2 B:HIS117 4.6 32.9 1.0
CG B:MET121 4.6 23.7 1.0
C B:HIS46 4.7 22.4 1.0
CA B:CYS112 4.7 14.4 1.0
N B:ASN47 4.7 20.4 1.0
CA B:HIS117 4.9 25.8 1.0

Copper binding site 3 out of 4 in 1azn

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Copper binding site 3 out of 4 in the Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu200

b:30.4
occ:1.00
ND1 C:HIS46 2.2 20.0 1.0
SG C:CYS112 2.2 7.2 1.0
ND1 C:HIS117 2.4 30.8 1.0
CB C:CYS112 2.9 8.7 1.0
SD C:MET121 3.0 22.9 1.0
O C:GLY45 3.1 20.3 1.0
CE1 C:HIS46 3.1 20.3 1.0
CG C:HIS46 3.2 19.2 1.0
CG C:HIS117 3.2 29.9 1.0
CB C:HIS117 3.3 27.6 1.0
CE1 C:HIS117 3.4 31.8 1.0
CB C:HIS46 3.7 18.2 1.0
CA C:HIS46 3.7 17.7 1.0
CG C:MET121 3.9 22.6 1.0
C C:GLY45 4.0 20.3 1.0
NE2 C:HIS46 4.2 20.9 1.0
CD2 C:HIS46 4.2 20.1 1.0
N C:HIS46 4.3 19.0 1.0
CB C:MET121 4.3 21.8 1.0
CB C:ALA114 4.3 18.0 1.0
CD2 C:HIS117 4.4 31.3 1.0
CA C:CYS112 4.4 10.3 1.0
NE2 C:HIS117 4.5 32.6 1.0
N C:ASN47 4.6 14.7 1.0
CE C:MET121 4.6 22.3 1.0
C C:HIS46 4.7 16.3 1.0
CA C:HIS117 4.7 24.6 1.0
C C:CYS112 4.9 10.7 1.0
O C:CYS112 5.0 11.5 1.0

Copper binding site 4 out of 4 in 1azn

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Copper binding site 4 out of 4 in the Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu200

b:33.9
occ:1.00
ND1 D:HIS46 2.1 25.6 1.0
SG D:CYS112 2.2 9.7 1.0
ND1 D:HIS117 2.4 31.8 1.0
CG D:HIS46 2.9 25.7 1.0
O D:GLY45 3.0 24.6 1.0
CE1 D:HIS46 3.1 26.0 1.0
SD D:MET121 3.1 34.3 1.0
CB D:CYS112 3.3 10.7 1.0
CE1 D:HIS117 3.3 32.0 1.0
CB D:HIS46 3.4 24.5 1.0
CG D:HIS117 3.4 30.7 1.0
CA D:HIS46 3.4 23.0 1.0
CB D:HIS117 3.7 28.7 1.0
C D:GLY45 3.8 24.6 1.0
CE D:MET121 4.0 34.0 1.0
N D:HIS46 4.0 23.9 1.0
CD2 D:HIS46 4.1 26.2 1.0
NE2 D:HIS46 4.2 26.2 1.0
CB D:ALA114 4.2 17.3 1.0
NE2 D:HIS117 4.4 31.6 1.0
CD2 D:HIS117 4.5 31.4 1.0
N D:ASN47 4.6 20.4 1.0
C D:HIS46 4.6 21.8 1.0
CA D:CYS112 4.8 12.6 1.0
CG D:MET13 4.8 35.2 1.0
CG D:MET121 4.9 33.1 1.0
O D:MET44 4.9 26.2 1.0
SD D:MET44 5.0 37.4 1.0

Reference:

L.C.Tsai, L.Sjolin, V.Langer, T.Pascher, H.Nar. Structure of the Azurin Mutant PHE114ALA From Pseudomonas Aeruginosa at 2.6 A Resolution. Acta Crystallogr.,Sect.D V. 51 168 1995.
ISSN: ISSN 0907-4449
PubMed: 15299318
DOI: 10.1107/S0907444994005627
Page generated: Wed Sep 2 21:36:23 2020
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