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Copper in PDB 1ils: X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa

Protein crystallography data

The structure of X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa, PDB code: 1ils was solved by C.Hammann, H.Nar, R.Huber, A.Messerschmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.600, 80.700, 110.000, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / n/a

Copper Binding Sites:

The binding sites of Copper atom in the X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa (pdb code 1ils). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa, PDB code: 1ils:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1ils

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Copper binding site 1 out of 4 in the X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu129

b:12.6
occ:1.00
ND1 A:HIS117 1.9 7.6 1.0
ND1 A:HIS46 1.9 10.2 1.0
SG A:CYS112 2.3 14.0 1.0
CE1 A:HIS46 2.9 8.3 1.0
CE1 A:HIS117 2.9 4.9 1.0
CG A:HIS117 3.0 6.3 1.0
CG A:HIS46 3.0 10.1 1.0
O A:GLY45 3.0 12.3 1.0
SD A:MET121 3.0 6.1 1.0
CB A:HIS117 3.4 6.0 1.0
CB A:CYS112 3.4 11.3 1.0
CB A:HIS46 3.5 8.8 1.0
CA A:HIS46 3.5 7.7 1.0
CB A:PHE114 3.9 7.4 1.0
NE2 A:HIS46 4.0 11.4 1.0
NE2 A:HIS117 4.0 6.5 1.0
C A:GLY45 4.0 9.3 1.0
CD2 A:HIS117 4.1 5.7 1.0
CE A:MET121 4.1 6.6 1.0
H A:PHE114 4.1 20.0 1.0
CD2 A:HIS46 4.1 7.6 1.0
N A:HIS46 4.3 8.2 1.0
H A:ASN47 4.3 20.0 1.0
CG A:MET121 4.5 8.4 1.0
CG A:PHE114 4.7 7.4 1.0
C A:HIS46 4.8 8.2 1.0
CA A:CYS112 4.8 10.9 1.0
N A:PHE114 4.8 11.8 1.0
CA A:HIS117 4.9 7.5 1.0
HE2 A:HIS46 4.9 20.0 1.0
HE2 A:HIS117 4.9 20.0 1.0
N A:ASN47 4.9 5.9 1.0
CA A:PHE114 5.0 9.4 1.0
CB A:MET121 5.0 8.8 1.0

Copper binding site 2 out of 4 in 1ils

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Copper binding site 2 out of 4 in the X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu129

b:12.4
occ:1.00
ND1 B:HIS117 1.8 9.3 1.0
ND1 B:HIS46 2.1 10.5 1.0
SG B:CYS112 2.3 9.4 1.0
CE1 B:HIS117 2.7 6.9 1.0
CG B:HIS117 2.9 7.5 1.0
O B:GLY45 3.1 11.9 1.0
CE1 B:HIS46 3.1 8.4 1.0
SD B:MET121 3.1 9.0 1.0
CG B:HIS46 3.1 10.9 1.0
CB B:CYS112 3.4 6.9 1.0
CB B:HIS117 3.4 6.7 1.0
CA B:HIS46 3.5 10.4 1.0
CB B:HIS46 3.6 9.0 1.0
NE2 B:HIS117 3.8 6.7 1.0
CB B:PHE114 3.9 8.3 1.0
C B:GLY45 3.9 11.1 1.0
CD2 B:HIS117 4.0 7.1 1.0
H B:ASN47 4.1 20.0 1.0
CE B:MET121 4.1 5.0 1.0
N B:HIS46 4.2 11.5 1.0
NE2 B:HIS46 4.2 4.5 1.0
H B:PHE114 4.3 20.0 1.0
CD2 B:HIS46 4.3 5.2 1.0
CG B:MET121 4.6 6.8 1.0
C B:HIS46 4.6 9.5 1.0
HE2 B:HIS117 4.7 20.0 1.0
N B:ASN47 4.7 9.0 1.0
CG B:PHE114 4.7 6.6 1.0
CA B:CYS112 4.7 8.6 1.0
N B:PHE114 4.8 9.9 1.0
O B:PHE114 4.9 4.9 1.0
CA B:HIS117 4.9 7.5 1.0
CA B:PHE114 4.9 7.7 1.0
CB B:MET121 4.9 7.1 1.0

Copper binding site 3 out of 4 in 1ils

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Copper binding site 3 out of 4 in the X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu129

b:12.2
occ:1.00
ND1 C:HIS117 1.9 5.9 1.0
ND1 C:HIS46 2.1 7.9 1.0
SG C:CYS112 2.2 10.9 1.0
CE1 C:HIS117 2.9 7.9 1.0
CG C:HIS117 2.9 7.3 1.0
SD C:MET121 3.0 7.5 1.0
O C:GLY45 3.0 8.9 1.0
CE1 C:HIS46 3.1 8.3 1.0
CG C:HIS46 3.2 9.0 1.0
CB C:CYS112 3.3 8.8 1.0
CB C:HIS117 3.3 7.2 1.0
CA C:HIS46 3.5 8.0 1.0
CB C:HIS46 3.6 7.8 1.0
CE C:MET121 3.7 2.0 1.0
C C:GLY45 3.9 8.9 1.0
CB C:PHE114 4.0 3.1 1.0
NE2 C:HIS117 4.0 3.9 1.0
CD2 C:HIS117 4.1 5.0 1.0
H C:ASN47 4.1 20.0 1.0
N C:HIS46 4.2 6.1 1.0
NE2 C:HIS46 4.2 7.7 1.0
CD2 C:HIS46 4.3 7.1 1.0
CG C:MET121 4.5 7.5 1.0
H C:PHE114 4.5 20.0 1.0
CA C:CYS112 4.7 6.7 1.0
C C:HIS46 4.7 9.6 1.0
CA C:HIS117 4.8 7.0 1.0
N C:ASN47 4.8 8.4 1.0
CG C:PHE114 4.8 7.0 1.0
HE2 C:HIS117 4.9 20.0 1.0
CB C:MET121 4.9 8.6 1.0
N C:PHE114 5.0 7.6 1.0

Copper binding site 4 out of 4 in 1ils

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Copper binding site 4 out of 4 in the X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of X-Ray Crystal Structure the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu129

b:12.1
occ:1.00
ND1 D:HIS117 2.2 5.5 1.0
ND1 D:HIS46 2.2 9.0 1.0
SG D:CYS112 2.2 9.8 1.0
O D:GLY45 2.9 7.6 1.0
CE1 D:HIS117 3.1 2.0 1.0
CG D:HIS117 3.1 6.9 1.0
CE1 D:HIS46 3.1 9.0 1.0
CG D:HIS46 3.2 8.9 1.0
SD D:MET121 3.2 5.1 1.0
CB D:CYS112 3.3 8.0 1.0
CB D:HIS117 3.5 6.7 1.0
CA D:HIS46 3.5 5.2 1.0
CB D:HIS46 3.6 6.3 1.0
CB D:PHE114 3.8 4.1 1.0
C D:GLY45 3.8 7.1 1.0
CE D:MET121 4.1 3.1 1.0
H D:ASN47 4.1 20.0 1.0
N D:HIS46 4.1 4.6 1.0
NE2 D:HIS117 4.2 2.1 1.0
H D:PHE114 4.2 20.0 1.0
NE2 D:HIS46 4.3 8.8 1.0
CD2 D:HIS117 4.3 3.0 1.0
CD2 D:HIS46 4.4 4.8 1.0
CG D:PHE114 4.6 2.5 1.0
CA D:CYS112 4.7 5.7 1.0
CG D:MET121 4.7 4.5 1.0
C D:HIS46 4.7 4.5 1.0
N D:PHE114 4.7 5.5 1.0
N D:ASN47 4.8 7.0 1.0
CA D:PHE114 4.9 3.8 1.0
CA D:HIS117 5.0 7.5 1.0

Reference:

C.Hammann, A.Messerschmidt, R.Huber, H.Nar, G.Gilardi, G.W.Canters. X-Ray Crystal Structure of the Two Site-Specific Mutants ILE7SER and PHE110SER of Azurin From Pseudomonas Aeruginosa. J.Mol.Biol. V. 255 362 1996.
ISSN: ISSN 0022-2836
PubMed: 8568881
DOI: 10.1006/JMBI.1996.0029
Page generated: Sun Dec 13 10:59:28 2020

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