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

Protein crystallography data

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

Other elements in 2qif:

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

Calcium (Ca) 1 atom

Copper Binding Sites:

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 2qif

Go back to Copper Binding Sites List in 2qif
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 2qif

Go back to Copper Binding Sites List in 2qif
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 2qif

Go back to Copper Binding Sites List in 2qif
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 2qif

Go back to Copper Binding Sites List in 2qif
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

Reference:

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
Page generated: Sun Dec 13 11:06:50 2020

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