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Copper in PDB 2idf: P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer

Protein crystallography data

The structure of P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer, PDB code: 2idf was solved by O.Einsle, T.E.De Jongh, M.Hoffmann, D.Cavazzini, G.L.Rossi, M.Ubbink, G.W.Canters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.25
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 48.004, 48.004, 283.399, 90.00, 90.00, 120.00
R / Rfree (%) 21.9 / 26.1

Other elements in 2idf:

The structure of P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer also contains other interesting chemical elements:

Nickel (Ni) 2 atoms

Copper Binding Sites:

The binding sites of Copper atom in the P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer (pdb code 2idf). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer, PDB code: 2idf:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 2idf

Go back to Copper Binding Sites List in 2idf
Copper binding site 1 out of 2 in the P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu129

b:47.1
occ:1.00
ND1 A:HIS46 2.2 45.2 1.0
SG A:CYS112 2.3 39.7 1.0
ND1 A:HIS117 2.3 55.1 1.0
SD A:MET121 3.0 43.2 1.0
O A:GLY45 3.0 49.4 1.0
CE1 A:HIS46 3.1 45.1 1.0
CG A:HIS46 3.2 44.8 1.0
CB A:CYS112 3.2 34.7 1.0
CG A:HIS117 3.2 49.2 1.0
CE1 A:HIS117 3.3 54.4 1.0
CA A:HIS46 3.4 43.6 1.0
CB A:HIS117 3.4 44.2 1.0
CB A:HIS46 3.5 43.1 1.0
CE A:MET121 3.8 45.6 1.0
C A:GLY45 3.8 48.2 1.0
CB A:PHE114 3.9 42.2 1.0
N A:HIS46 4.0 46.1 1.0
NE2 A:HIS46 4.3 50.6 1.0
CD2 A:HIS46 4.3 42.7 1.0
CD2 A:HIS117 4.4 53.0 1.0
NE2 A:HIS117 4.4 55.7 1.0
CG A:MET121 4.5 38.0 1.0
C A:HIS46 4.6 43.5 1.0
CA A:CYS112 4.7 39.1 1.0
N A:ASN47 4.7 42.6 1.0
CG A:PHE114 4.8 46.5 1.0
N A:PHE114 4.9 43.1 1.0
CB A:MET121 4.9 37.0 1.0
CA A:HIS117 4.9 42.0 1.0
CA A:PHE114 5.0 43.3 1.0

Copper binding site 2 out of 2 in 2idf

Go back to Copper Binding Sites List in 2idf
Copper binding site 2 out of 2 in the P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of P. Aeruginosa Azurin N42C/M64E Double Mutant, Bmme-Linked Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu129

b:46.5
occ:1.00
ND1 B:HIS46 2.1 47.7 1.0
SG B:CYS112 2.3 40.6 1.0
ND1 B:HIS117 2.3 47.7 1.0
O B:GLY45 3.0 49.4 1.0
CE1 B:HIS46 3.1 46.9 1.0
SD B:MET121 3.1 45.0 1.0
CG B:HIS46 3.2 48.7 1.0
CB B:CYS112 3.2 36.7 1.0
CG B:HIS117 3.3 46.2 1.0
CE1 B:HIS117 3.3 46.2 1.0
CA B:HIS46 3.4 43.7 1.0
CB B:HIS117 3.5 41.2 1.0
CB B:HIS46 3.5 42.7 1.0
CE B:MET121 3.7 46.8 1.0
C B:GLY45 3.8 47.4 1.0
CB B:PHE114 3.9 44.7 1.0
N B:HIS46 4.0 45.6 1.0
NE2 B:HIS46 4.2 51.6 1.0
CD2 B:HIS46 4.3 48.1 1.0
NE2 B:HIS117 4.4 47.4 1.0
CD2 B:HIS117 4.4 46.6 1.0
C B:HIS46 4.6 43.2 1.0
CG B:MET121 4.6 39.1 1.0
N B:ASN47 4.6 41.5 1.0
CA B:CYS112 4.6 39.3 1.0
CG B:PHE114 4.8 49.9 1.0
N B:PHE114 4.8 42.8 1.0
CB B:MET121 4.9 38.4 1.0
CA B:PHE114 5.0 43.4 1.0
CA B:HIS117 5.0 41.8 1.0

Reference:

T.E.De Jongh, M.Hoffmann, O.Einsle, D.Cavazzini, G.L.Rossi, M.Ubbink, G.W.Canters. Electron Transfer in A Crosslinked Protein Dimer Mediated By A Hydrogen-Bonded Network Across the Dimer Interface To Be Published.
Page generated: Wed Oct 28 14:20:01 2020
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