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Copper in PDB 1r1c: Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)

Protein crystallography data

The structure of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107), PDB code: 1r1c was solved by J.E.Miller, C.Gradinaru, B.R.Crane, A.J.Di Bilio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.947, 56.933, 77.296, 90.00, 98.37, 90.00
R / Rfree (%) 22.4 / 26

Other elements in 1r1c:

The structure of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) also contains other interesting chemical elements:

Rhenium (Re) 7 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) (pdb code 1r1c). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107), PDB code: 1r1c:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1r1c

Go back to Copper Binding Sites List in 1r1c
Copper binding site 1 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu901

b:18.1
occ:1.00
ND1 A:HIS46 2.0 20.6 1.0
ND1 A:HIS117 2.1 12.7 1.0
SG A:CYS112 2.2 18.5 1.0
O A:GLY45 2.4 15.0 1.0
CE1 A:HIS46 3.0 20.6 1.0
CE1 A:HIS117 3.0 16.6 1.0
CG A:HIS46 3.1 18.9 1.0
CG A:HIS117 3.1 21.6 1.0
CA A:HIS46 3.2 19.8 1.0
SD A:MET121 3.3 23.1 1.0
CB A:CYS112 3.4 14.6 1.0
C A:GLY45 3.4 23.3 1.0
CB A:HIS46 3.4 15.4 1.0
CB A:HIS117 3.5 17.4 1.0
CB A:PHE114 3.7 21.2 1.0
N A:HIS46 3.8 19.9 1.0
CE A:MET121 4.0 22.8 1.0
NE2 A:HIS46 4.1 21.5 1.0
NE2 A:HIS117 4.1 17.2 1.0
CD2 A:HIS46 4.2 23.8 1.0
CD2 A:HIS117 4.2 17.9 1.0
C A:HIS46 4.5 13.7 1.0
CG A:PHE114 4.6 14.2 1.0
N A:ASN47 4.6 13.8 1.0
CA A:GLY45 4.7 15.4 1.0
CA A:CYS112 4.7 17.3 1.0
N A:PHE114 4.8 11.7 1.0
CA A:PHE114 4.8 20.4 1.0
CG A:MET121 4.8 24.1 1.0
N A:GLY45 4.9 12.4 1.0
O A:MET44 5.0 16.8 1.0

Copper binding site 2 out of 4 in 1r1c

Go back to Copper Binding Sites List in 1r1c
Copper binding site 2 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu902

b:23.7
occ:1.00
ND1 B:HIS46 2.0 21.3 1.0
SG B:CYS112 2.1 19.9 1.0
ND1 B:HIS117 2.1 24.6 1.0
O B:GLY45 2.7 16.1 1.0
CE1 B:HIS117 3.0 22.1 1.0
CE1 B:HIS46 3.0 17.6 1.0
CG B:HIS46 3.1 19.6 1.0
CG B:HIS117 3.1 26.6 1.0
CA B:HIS46 3.3 26.8 1.0
CB B:CYS112 3.3 24.9 1.0
SD B:MET121 3.3 25.2 1.0
CB B:HIS46 3.4 16.2 1.0
CB B:HIS117 3.5 24.0 1.0
C B:GLY45 3.6 23.2 1.0
CE B:MET121 3.8 28.8 1.0
CB B:PHE114 3.8 34.9 1.0
N B:HIS46 3.8 25.8 1.0
NE2 B:HIS46 4.1 20.5 1.0
NE2 B:HIS117 4.2 20.8 1.0
CD2 B:HIS46 4.2 21.5 1.0
CD2 B:HIS117 4.2 20.6 1.0
C B:HIS46 4.5 26.9 1.0
CG B:PHE114 4.6 34.2 1.0
N B:ASN47 4.6 20.1 1.0
CA B:CYS112 4.6 21.4 1.0
N B:PHE114 4.7 18.7 1.0
CA B:PHE114 4.8 19.9 1.0
CG B:MET121 4.9 19.3 1.0
CA B:GLY45 5.0 22.6 1.0
CA B:HIS117 5.0 18.2 1.0

Copper binding site 3 out of 4 in 1r1c

Go back to Copper Binding Sites List in 1r1c
Copper binding site 3 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu903

b:25.6
occ:1.00
ND1 C:HIS117 2.0 24.1 1.0
ND1 C:HIS46 2.0 29.4 1.0
SG C:CYS112 2.1 23.4 1.0
O C:GLY45 2.6 24.9 1.0
CE1 C:HIS117 2.9 18.3 1.0
CE1 C:HIS46 2.9 27.9 1.0
CG C:HIS117 3.0 21.8 1.0
CG C:HIS46 3.0 25.1 1.0
SD C:MET121 3.2 25.7 1.0
CB C:CYS112 3.2 14.3 1.0
CA C:HIS46 3.2 17.1 1.0
CB C:HIS46 3.3 23.8 1.0
CB C:HIS117 3.4 20.0 1.0
C C:GLY45 3.5 22.7 1.0
CE C:MET121 3.5 26.7 1.0
CB C:PHE114 3.8 22.8 1.0
N C:HIS46 3.8 17.0 1.0
NE2 C:HIS117 4.0 20.5 1.0
NE2 C:HIS46 4.0 31.3 1.0
CD2 C:HIS117 4.1 22.5 1.0
CD2 C:HIS46 4.1 24.8 1.0
C C:HIS46 4.5 20.3 1.0
N C:ASN47 4.6 16.6 1.0
CA C:CYS112 4.6 17.6 1.0
CG C:PHE114 4.7 18.1 1.0
N C:PHE114 4.7 24.0 1.0
CG C:MET121 4.8 21.1 1.0
CA C:PHE114 4.8 21.1 1.0
CA C:GLY45 4.9 17.6 1.0
CA C:HIS117 4.9 18.5 1.0
O C:MET44 4.9 27.7 1.0

Copper binding site 4 out of 4 in 1r1c

Go back to Copper Binding Sites List in 1r1c
Copper binding site 4 out of 4 in the Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Pseudomonas Aeruginosa W48F/Y72F/H83Q/Y108W-Azurin Re(Phen) (Co)3(HIS107) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu904

b:20.8
occ:1.00
ND1 D:HIS117 1.8 20.4 1.0
ND1 D:HIS46 2.2 32.2 1.0
SG D:CYS112 2.3 18.8 1.0
O D:GLY45 2.4 20.6 1.0
CE1 D:HIS117 2.6 18.4 1.0
CG D:HIS117 3.0 13.9 1.0
CE1 D:HIS46 3.1 27.6 1.0
CG D:HIS46 3.2 23.0 1.0
CA D:HIS46 3.2 25.8 1.0
CB D:CYS112 3.3 9.7 1.0
SD D:MET121 3.3 23.2 1.0
C D:GLY45 3.4 23.3 1.0
CB D:HIS117 3.5 12.6 1.0
CB D:HIS46 3.6 28.4 1.0
N D:HIS46 3.8 19.1 1.0
NE2 D:HIS117 3.8 18.4 1.0
CB D:PHE114 3.9 22.8 1.0
CD2 D:HIS117 4.0 15.8 1.0
CE D:MET121 4.0 9.2 1.0
NE2 D:HIS46 4.2 22.3 1.0
CD2 D:HIS46 4.3 21.2 1.0
C D:HIS46 4.4 28.4 1.0
N D:ASN47 4.5 21.6 1.0
CG D:PHE114 4.6 28.3 1.0
CA D:CYS112 4.7 14.2 1.0
N D:PHE114 4.7 27.9 1.0
CA D:GLY45 4.8 27.5 1.0
O D:MET44 4.8 23.2 1.0
CG D:MET121 4.8 15.1 1.0
CA D:PHE114 4.9 14.5 1.0
N D:GLY45 5.0 42.6 1.0
C D:MET44 5.0 31.8 1.0

Reference:

J.E.Miller, C.Gradinaru, B.R.Crane, A.J.Di Bilio, W.A.Wehbi, S.Un, J.R.Winkler, H.B.Gray. Spectroscopy and Reactivity of A Photogenerated Tryptophan Radical in A Structurally Defined Protein Environment J.Am.Chem.Soc. V. 125 14220 2003.
ISSN: ISSN 0002-7863
PubMed: 14624538
DOI: 10.1021/JA037203I
Page generated: Sun Dec 13 11:01:36 2020

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