Copper in PDB 1cc3: Purple Cua Center

The structure of Purple Cua Center, PDB code: 1cc3 was solved by H.Robinson, M.C.Ang, Y.-G.Gao, M.T.Hay, Y.Lu, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.630, 62.332, 51.230, 90.00, 99.50, 90.00
R / Rfree (%)	20 / 26.3

The binding sites of Copper atom in the Purple Cua Center (pdb code 1cc3). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Purple Cua Center, PDB code: 1cc3:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Purple Cua Center


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Purple Cua Center within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu131 b:10.7 occ:1.00 ND1 A:HIS120 2.1 7.3 1.0 O A:GLU114 2.2 9.7 1.0 SG A:CYS116 2.3 9.7 1.0 CU A:CU132 2.4 7.6 1.0 SG A:CYS112 2.5 7.3 1.0 CE1 A:HIS120 2.8 5.3 1.0 C A:GLU114 3.1 0.0 1.0 CG A:HIS120 3.2 9.8 1.0 CB A:CYS116 3.4 9.9 1.0 CB A:CYS112 3.6 11.8 1.0 N A:CYS116 3.6 6.0 1.0 CB A:HIS120 3.7 18.0 1.0 N A:GLU114 3.8 8.6 1.0 CA A:GLU114 4.0 6.7 1.0 CA A:HIS120 4.0 7.2 1.0 NE2 A:HIS120 4.0 14.2 1.0 O A:CYS112 4.0 6.1 1.0 O A:HIS120 4.1 3.5 1.0 CA A:CYS116 4.1 8.1 1.0 N A:LEU115 4.1 8.6 1.0 C A:LEU115 4.1 7.6 1.0 CD2 A:HIS120 4.2 7.4 1.0 CA A:LEU115 4.2 9.8 1.0 O A:GLY45 4.2 8.7 1.0 SD A:MET123 4.3 9.6 1.0 C A:CYS112 4.3 2.5 1.0 ND1 A:HIS46 4.4 2.7 1.0 CB A:GLU114 4.5 2.2 1.0 C A:HIS120 4.5 9.7 1.0 CA A:CYS112 4.6 5.1 1.0 C A:SER113 4.7 12.3 1.0 O A:LEU115 5.0 11.7 1.0 C A:CYS116 5.0 18.7 1.0

Copper binding site 2 out of 4 in the Purple Cua Center


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Purple Cua Center within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu132 b:7.6 occ:1.00 ND1 A:HIS46 2.0 2.7 1.0 SG A:CYS116 2.3 9.7 1.0 SG A:CYS112 2.4 7.3 1.0 CU A:CU131 2.4 10.7 1.0 CE1 A:HIS46 2.9 6.7 1.0 SD A:MET123 3.0 9.6 1.0 CG A:HIS46 3.1 0.1 1.0 O A:GLY45 3.1 8.7 1.0 CB A:CYS116 3.2 9.9 1.0 CB A:CYS112 3.4 11.8 1.0 CB A:HIS46 3.5 10.8 1.0 O A:GLU114 3.6 9.7 1.0 CA A:HIS46 3.7 5.6 1.0 CE A:MET123 3.9 7.7 1.0 C A:GLY45 4.0 23.2 1.0 NE2 A:HIS46 4.1 4.4 1.0 CD2 A:HIS46 4.1 8.0 1.0 N A:HIS46 4.2 10.6 1.0 ND1 A:HIS120 4.4 7.3 1.0 CG A:MET123 4.5 1.0 1.0 CA A:CYS116 4.6 8.1 1.0 C A:GLU114 4.7 0.0 1.0 CB A:MET123 4.8 0.0 1.0 CA A:CYS112 4.8 5.1 1.0 N A:CYS116 4.9 6.0 1.0 CB A:GLU114 5.0 2.2 1.0 C A:HIS46 5.0 3.7 1.0

Copper binding site 3 out of 4 in the Purple Cua Center


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Purple Cua Center within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu631 b:11.3 occ:1.00 O B:GLU614 2.2 7.9 1.0 ND1 B:HIS620 2.3 9.6 1.0 SG B:CYS616 2.3 8.6 1.0 CU B:CU632 2.3 10.7 1.0 SG B:CYS612 2.4 9.1 1.0 CE1 B:HIS620 3.2 1.1 1.0 CG B:HIS620 3.3 2.3 1.0 CB B:CYS612 3.4 15.6 1.0 C B:GLU614 3.4 2.7 1.0 CB B:CYS616 3.4 0.6 1.0 N B:CYS616 3.6 10.4 1.0 CB B:HIS620 3.7 0.1 1.0 N B:GLU614 4.0 15.6 1.0 C B:LEU615 4.1 4.0 1.0 CA B:HIS620 4.1 9.1 1.0 O B:CYS612 4.1 8.2 1.0 CA B:CYS616 4.1 11.4 1.0 CA B:GLU614 4.2 6.8 1.0 SD B:MET623 4.2 9.3 1.0 CA B:LEU615 4.3 2.1 1.0 C B:CYS612 4.3 8.9 1.0 N B:LEU615 4.3 8.9 1.0 NE2 B:HIS620 4.3 13.6 1.0 O B:GLY545 4.4 7.0 1.0 ND1 B:HIS546 4.4 7.0 1.0 CD2 B:HIS620 4.4 24.1 1.0 O B:HIS620 4.4 11.8 1.0 CA B:CYS612 4.5 13.1 1.0 CB B:GLU614 4.5 5.7 1.0 C B:HIS620 4.6 11.8 1.0 C B:SER613 4.6 4.0 1.0 CG B:MET623 4.7 4.2 1.0 O B:LEU615 4.8 12.5 1.0 O B:HOH1006 4.9 8.7 1.0 N B:SER613 4.9 6.4 1.0 CB B:MET623 4.9 9.5 1.0

Copper binding site 4 out of 4 in the Purple Cua Center


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Purple Cua Center within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu632 b:10.7 occ:1.00 ND1 B:HIS546 2.1 7.0 1.0 SG B:CYS612 2.3 9.1 1.0 CU B:CU631 2.3 11.3 1.0 SG B:CYS616 2.4 8.6 1.0 CG B:HIS546 3.0 3.4 1.0 O B:GLY545 3.0 7.0 1.0 CE1 B:HIS546 3.1 0.0 1.0 SD B:MET623 3.2 9.3 1.0 CB B:HIS546 3.3 12.4 1.0 CB B:CYS616 3.3 0.6 1.0 CB B:CYS612 3.4 15.6 1.0 CA B:HIS546 3.5 10.4 1.0 O B:GLU614 3.7 7.9 1.0 CE B:MET623 3.7 6.6 1.0 C B:GLY545 4.0 7.9 1.0 CD2 B:HIS546 4.1 14.0 1.0 N B:HIS546 4.1 8.1 1.0 NE2 B:HIS546 4.2 9.5 1.0 CG B:MET623 4.5 4.2 1.0 ND1 B:HIS620 4.6 9.6 1.0 CA B:CYS616 4.7 11.4 1.0 C B:HIS546 4.7 9.5 1.0 C B:GLU614 4.8 2.7 1.0 CB B:GLU614 4.8 5.7 1.0 CA B:CYS612 4.8 13.1 1.0 N B:ASN547 4.9 7.6 1.0 N B:CYS616 4.9 10.4 1.0 CB B:MET623 4.9 9.5 1.0

H.Robinson, M.C.Ang, Y.G.Gao, M.T.Hay, Y.Lu, A.H.Wang. Structural Basis of Electron Transfer Modulation in the Purple Cua Center. Biochemistry V. 38 5677 1999.
ISSN: ISSN 0006-2960
PubMed: 10231517
DOI: 10.1021/BI9901634