Copper in PDB 2qif: Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster

The structure of Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster, PDB code: 2qif was solved by C.West, C.Singleton, M.A.Kihlken, N.E.Le Brun, A.M.Hemmings, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	23.440, 74.692, 41.212, 90.00, 101.55, 90.00
R / Rfree (%)	13 / 17.5

The structure of Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Copper atom in the Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster (pdb code 2qif). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 4 binding sites of Copper where determined in the Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster, PDB code: 2qif:
Jump to Copper binding site number: 1; 2; 3; 4;

Copper binding site 1 out of 4 in the Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:8.0 occ:0.56 ND1 A:HIS15 2.0 12.4 1.0 SG A:CYS13 2.3 11.8 1.0 SG B:CYS16 2.4 11.8 1.0 CU B:CU1204 2.6 11.4 0.9 O B:HOH402 2.6 10.0 1.0 CE1 A:HIS15 2.9 14.1 1.0 CG A:HIS15 3.0 12.3 1.0 CB A:CYS13 3.4 12.3 1.0 OH B:TYR65 3.4 13.3 1.0 CB A:HIS15 3.4 10.8 1.0 CB B:CYS16 3.7 12.2 1.0 CA B:CYS16 3.8 12.7 1.0 N B:CYS16 3.9 11.1 1.0 N A:HIS15 4.0 10.1 1.0 CU A:CU1203 4.0 11.2 1.0 NE2 A:HIS15 4.1 13.5 1.0 O B:HOH422 4.1 24.1 1.0 CD2 A:HIS15 4.2 13.0 1.0 NE2 A:GLN14 4.4 14.3 0.4 SG B:CYS13 4.4 12.6 1.0 CA A:HIS15 4.4 9.1 1.0 CB B:HIS15 4.5 11.1 1.0 C B:HIS15 4.5 11.3 1.0 CZ B:TYR65 4.6 12.0 1.0 OG B:SER12 4.6 21.7 1.0 CA A:CYS13 4.7 11.5 1.0 N A:GLN14 4.8 11.4 0.6 N A:GLN14 4.8 11.6 0.4 CE1 B:TYR65 4.9 12.6 1.0 C A:CYS13 4.9 10.8 1.0 O B:HIS15 5.0 11.4 1.0 O B:HOH455 5.0 39.4 1.0

Copper binding site 2 out of 4 in the Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu203 b:11.2 occ:1.00 SG A:CYS16 2.2 11.0 1.0 SG A:CYS13 2.2 11.8 1.0 SG B:CYS13 2.5 12.6 1.0 CU B:CU1201 2.6 10.5 0.7 CU B:CU1204 2.7 11.4 0.9 OG A:SER12 2.9 19.0 1.0 N A:CYS13 3.3 11.4 1.0 CB A:CYS13 3.3 12.3 1.0 CB A:CYS16 3.4 9.3 1.0 N A:CYS16 3.5 9.4 1.0 CB B:CYS13 3.7 13.5 1.0 CA A:CYS13 3.7 11.5 1.0 CA A:CYS16 3.9 9.1 1.0 O A:CYS13 3.9 12.0 1.0 C A:SER12 4.0 12.0 1.0 N A:SER12 4.0 12.2 1.0 C A:CYS13 4.0 10.8 1.0 OG B:SER12 4.0 21.7 1.0 CU A:CU1202 4.0 8.0 0.6 CB A:SER12 4.1 16.9 1.0 ND1 B:HIS15 4.2 12.7 1.0 CA A:SER12 4.2 12.5 1.0 CB A:HIS15 4.3 10.8 1.0 O A:HOH531 4.3 18.1 1.0 C A:HIS15 4.4 8.5 1.0 N A:HIS15 4.6 10.1 1.0 O A:HOH502 4.6 7.4 1.0 CB B:HIS15 4.6 11.1 1.0 CA A:HIS15 4.7 9.1 1.0 O A:SER12 4.8 14.2 1.0 SG B:CYS16 4.8 11.8 1.0 CG B:HIS15 4.9 14.0 1.0 CA B:CYS13 4.9 13.1 1.0 N A:GLN14 5.0 11.4 0.6 N A:GLN14 5.0 11.6 0.4

Copper binding site 3 out of 4 in the Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:10.5 occ:0.74 ND1 B:HIS15 2.0 12.7 1.0 SG B:CYS13 2.4 12.6 1.0 SG A:CYS16 2.4 11.0 1.0 O A:HOH502 2.5 7.4 1.0 CU A:CU1203 2.6 11.2 1.0 CE1 B:HIS15 2.9 13.9 1.0 CG B:HIS15 3.1 14.0 1.0 OH A:TYR65 3.5 12.1 1.0 CB B:CYS13 3.5 13.5 1.0 CB B:HIS15 3.5 11.1 1.0 CB A:CYS16 3.7 9.3 1.0 CA A:CYS16 3.9 9.1 1.0 N A:CYS16 3.9 9.4 1.0 CU B:CU1204 4.0 11.4 0.9 N B:HIS15 4.1 12.1 1.0 NE2 B:HIS15 4.1 17.0 1.0 O A:HOH531 4.1 18.1 1.0 CD2 B:HIS15 4.2 16.3 1.0 SG A:CYS13 4.4 11.8 1.0 CA B:HIS15 4.4 11.0 1.0 C A:HIS15 4.5 8.5 1.0 O B:HOH456 4.5 34.0 1.0 CB A:HIS15 4.6 10.8 1.0 OG A:SER12 4.6 19.0 1.0 CZ A:TYR65 4.7 10.1 1.0 CA B:CYS13 4.8 13.1 1.0 N B:GLN14 4.9 14.1 1.0 CE1 A:TYR65 4.9 12.5 1.0 O A:HIS15 5.0 11.0 1.0

Copper binding site 4 out of 4 in the Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of A Metallochaperone with A Tetranuclear Cu(I) Cluster within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu204 b:11.4 occ:0.92 SG B:CYS13 2.2 12.6 1.0 SG B:CYS16 2.2 11.8 1.0 SG A:CYS13 2.5 11.8 1.0 CU A:CU1202 2.6 8.0 0.6 CU A:CU1203 2.7 11.2 1.0 OG B:SER12 3.0 21.7 1.0 CB B:CYS13 3.3 13.5 1.0 N B:CYS13 3.3 13.7 1.0 CB B:CYS16 3.4 12.2 1.0 N B:CYS16 3.5 11.1 1.0 CB A:CYS13 3.6 12.3 1.0 CA B:CYS13 3.7 13.1 1.0 OG A:SER12 3.9 19.0 1.0 CA B:CYS16 3.9 12.7 1.0 O B:CYS13 4.0 12.4 1.0 C B:SER12 4.0 12.2 1.0 C B:CYS13 4.0 13.8 1.0 N B:SER12 4.0 12.7 1.0 CU B:CU1201 4.0 10.5 0.7 ND1 A:HIS15 4.2 12.4 1.0 CB B:HIS15 4.2 11.1 1.0 CB B:SER12 4.2 15.4 1.0 CA B:SER12 4.3 15.5 1.0 O B:HOH422 4.3 24.1 1.0 C B:HIS15 4.4 11.3 1.0 N B:HIS15 4.5 12.1 1.0 CB A:HIS15 4.6 10.8 1.0 CA B:HIS15 4.6 11.0 1.0 O B:HOH402 4.7 10.0 1.0 O B:SER12 4.8 17.9 1.0 SG A:CYS16 4.8 11.0 1.0 CA A:CYS13 4.8 11.5 1.0 CG A:HIS15 4.8 12.3 1.0 N A:CYS13 4.9 11.4 1.0 N B:GLN14 4.9 14.1 1.0

S.Hearnshaw, C.West, C.Singleton, L.Zhou, M.A.Kihlken, R.W.Strange, N.E.Le Brun, A.M.Hemmings. A Tetranuclear Cu(I) Cluster in the Metallochaperone Protein Copz. Biochemistry V. 48 9324 2009.
ISSN: ISSN 0006-2960
PubMed: 19746989
DOI: 10.1021/BI9011995