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Copper in PDB 1jzj: Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83)

Protein crystallography data

The structure of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83), PDB code: 1jzj was solved by B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.39 / 1.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 54.873, 54.873, 133.813, 90.00, 90.00, 120.00
R / Rfree (%) 22.2 / 26

Other elements in 1jzj:

The structure of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) also contains other interesting chemical elements:

Osmium (Os) 4 atoms

Copper Binding Sites:

The binding sites of Copper atom in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) (pdb code 1jzj). 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 Azurin Os(Bpy)2(Im)(HIS83), PDB code: 1jzj:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in 1jzj

Go back to Copper Binding Sites List in 1jzj
Copper binding site 1 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu901

b:19.9
occ:1.00
ND1 A:HIS46 1.9 19.4 1.0
ND1 A:HIS117 2.0 19.8 1.0
SG A:CYS112 2.2 16.5 1.0
O A:GLY45 2.6 19.4 1.0
CE1 A:HIS46 2.7 19.5 1.0
CE1 A:HIS117 2.9 20.0 1.0
CG A:HIS117 3.0 19.8 1.0
CG A:HIS46 3.1 19.2 1.0
CB A:CYS112 3.3 16.1 1.0
CA A:HIS46 3.3 18.7 1.0
SD A:MET121 3.4 23.0 1.0
CB A:HIS117 3.4 19.5 1.0
C A:GLY45 3.6 19.4 1.0
CB A:HIS46 3.6 19.1 1.0
CB A:PHE114 3.7 17.9 1.0
N A:HIS46 3.9 19.1 1.0
NE2 A:HIS46 3.9 19.6 1.0
NE2 A:HIS117 4.1 20.0 1.0
CD2 A:HIS46 4.1 19.4 1.0
CE A:MET121 4.1 22.7 1.0
CD2 A:HIS117 4.1 19.7 1.0
CG A:PHE114 4.6 18.2 1.0
C A:HIS46 4.6 18.3 1.0
N A:ASN47 4.6 17.9 1.0
CA A:CYS112 4.7 16.2 1.0
N A:PHE114 4.7 17.2 1.0
CG A:MET121 4.8 22.5 1.0
CA A:PHE114 4.8 17.6 1.0
CA A:HIS117 4.9 19.2 1.0
CA A:GLY45 4.9 20.0 1.0
O A:MET44 4.9 21.4 1.0

Copper binding site 2 out of 4 in 1jzj

Go back to Copper Binding Sites List in 1jzj
Copper binding site 2 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu2000

b:28.0
occ:1.00
CU A:IME2000 0.0 28.0 1.0
NEM A:IME2000 1.9 27.2 1.0
NEW A:IME2000 2.0 29.3 1.0
NEC A:IME2000 2.1 27.2 1.0
NE6 A:IME2000 2.1 28.4 1.0
O1 A:IME2000 2.5 28.2 1.0
O2 A:IME2000 2.5 27.4 1.0
CEL A:IME2000 2.9 27.0 1.0
CDM A:IME2000 2.9 26.9 1.0
CEV A:IME2000 3.0 29.8 1.0
CDW A:IME2000 3.0 29.8 1.0
CEB A:IME2000 3.0 27.0 1.0
CE5 A:IME2000 3.1 28.5 1.0
CDC A:IME2000 3.2 27.1 1.0
CD6 A:IME2000 3.2 28.3 1.0
NDL A:IME2000 4.0 26.9 1.0
CG2 A:IME2000 4.1 26.7 1.0
CG3 A:IME2000 4.1 30.2 1.0
NDB A:IME2000 4.1 26.9 1.0
NDV A:IME2000 4.2 30.2 1.0
O A:LYS24 4.2 27.5 1.0
ND5 A:IME2000 4.2 28.8 1.0
CG1 A:IME2000 4.3 26.8 1.0
CG4 A:IME2000 4.3 28.4 1.0
O A:CYS26 4.9 24.6 1.0

Copper binding site 3 out of 4 in 1jzj

Go back to Copper Binding Sites List in 1jzj
Copper binding site 3 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu900

b:58.7
occ:0.50
OG B:SER225 2.9 26.4 1.0
CB B:SER225 3.5 25.4 1.0
N B:ALA201 3.6 23.5 1.0
O B:HOH1252 4.1 35.7 1.0
O B:ALA201 4.2 24.7 1.0
CG B:ASP223 4.7 24.2 1.0
OD1 B:ASP223 4.7 24.2 1.0
OD2 B:ASP223 4.8 24.4 1.0
CA B:ALA201 4.8 24.4 1.0
CA B:SER225 4.9 24.9 1.0
C B:ALA201 4.9 24.2 1.0
SG B:CYS203 4.9 23.0 1.0

Copper binding site 4 out of 4 in 1jzj

Go back to Copper Binding Sites List in 1jzj
Copper binding site 4 out of 4 in the Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(HIS83) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu902

b:17.1
occ:1.00
ND1 B:HIS246 2.0 16.2 1.0
ND1 B:HIS317 2.1 17.1 1.0
SG B:CYS312 2.2 13.7 1.0
O B:GLY245 2.7 16.7 1.0
CE1 B:HIS246 2.8 16.2 1.0
CE1 B:HIS317 3.0 17.2 1.0
CG B:HIS317 3.1 17.1 1.0
CG B:HIS246 3.1 15.9 1.0
SD B:MET321 3.3 17.7 1.0
CB B:CYS312 3.3 13.6 1.0
CA B:HIS246 3.4 15.8 1.0
CB B:HIS317 3.4 16.8 1.0
CB B:HIS246 3.6 15.9 1.0
C B:GLY245 3.6 16.7 1.0
CB B:PHE314 3.7 14.6 1.0
N B:HIS246 3.9 16.1 1.0
NE2 B:HIS246 4.0 16.2 1.0
CE B:MET321 4.1 17.6 1.0
CD2 B:HIS246 4.1 16.2 1.0
NE2 B:HIS317 4.1 17.3 1.0
CD2 B:HIS317 4.2 17.2 1.0
CG B:PHE314 4.5 14.6 1.0
C B:HIS246 4.6 15.5 1.0
N B:ASN247 4.7 15.2 1.0
CA B:CYS312 4.7 13.6 1.0
N B:PHE314 4.7 14.2 1.0
CG B:MET321 4.7 17.6 1.0
CA B:PHE314 4.8 14.6 1.0
CA B:HIS317 4.9 16.5 1.0
CA B:GLY245 5.0 17.2 1.0

Reference:

B.R.Crane, A.J.Di Bilio, J.R.Winkler, H.B.Gray. Electron Tunneling in Single Crystals of Pseudomonas Aeruginosa Azurins. J.Am.Chem.Soc. V. 123 11623 2001.
ISSN: ISSN 0002-7863
PubMed: 11716717
DOI: 10.1021/JA0115870
Page generated: Sun Dec 13 10:59:53 2020

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