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Copper in PDB 3ciq: A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold

Protein crystallography data

The structure of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold, PDB code: 3ciq was solved by M.F.Calabrese, C.M.Eakin, J.M.Wang, A.D.Miranker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 67.594, 68.047, 96.218, 104.38, 94.15, 117.77
R / Rfree (%) 22.5 / 26.4

Copper Binding Sites:

The binding sites of Copper atom in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold (pdb code 3ciq). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 12 binding sites of Copper where determined in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold, PDB code: 3ciq:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; 11; 12;

Copper binding site 1 out of 12 in 3ciq

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Copper binding site 1 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu100

b:87.5
occ:1.00
NE2 A:HIS31 1.9 51.6 1.0
N A:ILE1 2.2 82.5 1.0
N A:MET0 2.4 81.0 1.0
O A:ILE1 2.5 75.9 1.0
CE1 A:HIS31 2.7 51.2 1.0
C A:ILE1 2.9 79.4 1.0
C A:MET0 3.0 81.8 1.0
CA A:ILE1 3.0 81.8 1.0
CD2 A:HIS31 3.1 49.6 1.0
CA A:MET0 3.1 82.5 1.0
CG2 A:ILE1 3.9 83.3 1.0
ND1 A:HIS31 3.9 48.7 1.0
N A:GLN2 4.0 80.0 1.0
CB A:ILE1 4.1 83.3 1.0
CG A:HIS31 4.1 50.3 1.0
O A:MET0 4.1 82.2 1.0
CB A:MET0 4.5 85.5 1.0
CA A:GLN2 4.8 79.8 1.0
CB A:PHE30 4.8 49.3 1.0
OE1 A:GLN2 4.9 83.8 1.0

Copper binding site 2 out of 12 in 3ciq

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Copper binding site 2 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


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Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu100

b:73.5
occ:1.00
O B:ILE1 1.9 46.2 1.0
NE2 B:HIS31 2.0 47.5 1.0
N B:MET0 2.2 65.8 1.0
N B:ILE1 2.4 60.5 1.0
C B:ILE1 2.7 51.1 1.0
CD2 B:HIS31 3.0 46.1 1.0
C B:MET0 3.0 62.6 1.0
CA B:MET0 3.1 65.0 1.0
CE1 B:HIS31 3.1 48.3 1.0
CA B:ILE1 3.1 56.8 1.0
N B:GLN2 3.9 48.6 1.0
O B:MET0 4.1 63.0 1.0
CG B:HIS31 4.1 42.8 1.0
ND1 B:HIS31 4.2 42.0 1.0
CB B:MET0 4.3 69.2 1.0
CB B:ILE1 4.4 62.3 1.0
CB B:PHE30 4.4 50.8 1.0
CA B:GLN2 4.5 47.7 1.0
CG1 B:ILE1 4.6 68.8 1.0
O B:ASP59 4.8 52.5 1.0
CG B:PHE30 4.9 53.3 1.0
CD2 B:PHE30 4.9 54.6 1.0

Copper binding site 3 out of 12 in 3ciq

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Copper binding site 3 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu100

b:96.8
occ:1.00
NE2 C:HIS31 2.0 42.8 1.0
N C:ILE1 2.2 84.3 1.0
N C:MET0 2.2 85.8 1.0
O C:ILE1 2.7 81.9 1.0
C C:ILE1 3.0 81.5 1.0
CE1 C:HIS31 3.0 45.3 1.0
CD2 C:HIS31 3.0 42.7 1.0
C C:MET0 3.1 85.4 1.0
CA C:ILE1 3.1 83.6 1.0
CA C:MET0 3.1 86.2 1.0
CG2 C:ILE1 3.8 81.7 1.0
NE2 C:GLN2 3.9 85.6 1.0
N C:GLN2 3.9 80.5 1.0
CB C:MET0 3.9 87.3 1.0
ND1 C:HIS31 4.1 42.3 1.0
CB C:ILE1 4.1 84.2 1.0
CG C:HIS31 4.1 42.0 1.0
O C:MET0 4.3 82.7 1.0
CD C:GLN2 4.5 85.6 1.0
CB C:PHE30 4.6 54.8 1.0
CA C:GLN2 4.6 80.3 1.0
CG C:MET0 4.8 90.6 1.0
CG C:GLN2 5.0 83.4 1.0

Copper binding site 4 out of 12 in 3ciq

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Copper binding site 4 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu100

b:72.2
occ:1.00
NE2 D:HIS31 1.9 48.7 1.0
O D:ILE1 2.0 57.4 1.0
N D:ILE1 2.3 75.3 1.0
N D:MET0 2.5 91.0 1.0
C D:ILE1 2.8 61.3 1.0
CE1 D:HIS31 2.8 51.1 1.0
CD2 D:HIS31 3.0 50.0 1.0
CA D:ILE1 3.1 67.9 1.0
C D:MET0 3.1 82.8 1.0
CA D:MET0 3.3 87.8 1.0
CB D:MET0 3.9 95.0 1.0
OE1 D:GLN2 3.9 52.1 1.0
ND1 D:HIS31 4.0 49.7 1.0
N D:GLN2 4.0 58.7 1.0
CG1 D:ILE1 4.1 66.8 1.0
CG D:HIS31 4.1 51.6 1.0
CB D:ILE1 4.2 69.0 1.0
O D:MET0 4.2 84.8 1.0
CA D:GLN2 4.6 56.4 1.0
CB D:PHE30 4.7 50.9 1.0
CD D:GLN2 4.7 60.0 1.0
O D:ASP59 4.9 52.5 1.0
CD2 D:PHE30 5.0 60.7 1.0

Copper binding site 5 out of 12 in 3ciq

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Copper binding site 5 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu100

b:0.5
occ:1.00
N E:ILE1 1.9 76.7 1.0
O E:ILE1 2.0 70.8 1.0
NE2 E:HIS31 2.0 32.9 1.0
N E:MET0 2.3 79.6 1.0
C E:ILE1 2.6 72.9 1.0
C E:MET0 2.7 78.0 1.0
CA E:ILE1 2.8 76.0 1.0
CE1 E:HIS31 2.9 36.1 1.0
CA E:MET0 3.0 80.1 1.0
CD2 E:HIS31 3.1 38.8 1.0
O E:MET0 3.7 77.6 1.0
CG1 E:ILE1 3.9 76.3 1.0
CB E:ILE1 3.9 77.8 1.0
N E:GLN2 3.9 71.4 1.0
ND1 E:HIS31 4.0 39.9 1.0
CG E:HIS31 4.1 39.6 1.0
CB E:MET0 4.2 83.2 1.0
CG E:GLN2 4.4 79.5 1.0
CG2 E:ILE1 4.7 78.1 1.0
CA E:GLN2 4.7 71.4 1.0

Copper binding site 6 out of 12 in 3ciq

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Copper binding site 6 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu100

b:93.0
occ:1.00
NE2 F:HIS31 2.1 49.3 1.0
N F:ILE1 2.3 76.3 1.0
N F:MET0 2.4 77.0 1.0
O F:ILE1 2.7 69.6 1.0
C F:ILE1 2.9 72.0 1.0
CE1 F:HIS31 3.0 45.8 1.0
CD2 F:HIS31 3.0 47.8 1.0
CA F:ILE1 3.1 73.5 1.0
C F:MET0 3.1 78.8 1.0
CA F:MET0 3.2 79.0 1.0
N F:GLN2 3.8 74.1 1.0
NE2 F:GLN2 4.1 84.4 1.0
ND1 F:HIS31 4.1 43.1 1.0
CG F:HIS31 4.2 44.5 1.0
O F:MET0 4.3 80.2 1.0
CG2 F:ILE1 4.3 74.5 1.0
CB F:ILE1 4.3 73.9 1.0
CA F:GLN2 4.4 76.8 1.0
CB F:MET0 4.5 80.3 1.0
CB F:PHE30 4.7 57.1 1.0
CD F:GLN2 4.9 83.8 1.0

Copper binding site 7 out of 12 in 3ciq

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Copper binding site 7 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cu100

b:0.4
occ:1.00
NE2 G:HIS31 2.1 55.6 1.0
O G:ILE1 2.4 73.1 1.0
N G:MET0 2.7 77.7 1.0
N G:ILE1 2.7 79.2 1.0
C G:ILE1 2.8 74.2 1.0
C G:MET0 3.0 79.0 1.0
CE1 G:HIS31 3.0 55.0 1.0
CD2 G:HIS31 3.2 56.2 1.0
CA G:ILE1 3.2 77.8 1.0
CA G:MET0 3.3 78.9 1.0
O G:MET0 3.6 79.8 1.0
N G:GLN2 3.6 72.9 1.0
ND1 G:HIS31 4.1 54.0 1.0
CB G:GLN2 4.1 77.2 1.0
CA G:GLN2 4.2 74.9 1.0
CG G:HIS31 4.2 55.9 1.0
CB G:ILE1 4.7 78.9 1.0
CG G:GLN2 4.7 78.6 1.0
CB G:MET0 4.7 81.4 1.0
OE1 G:GLN2 4.9 82.5 1.0
CB G:PHE30 4.9 49.6 1.0
CG1 G:ILE1 5.0 78.6 1.0

Copper binding site 8 out of 12 in 3ciq

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Copper binding site 8 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cu100

b:0.3
occ:1.00
NE2 H:HIS31 2.0 55.6 1.0
N H:ILE1 2.1 79.5 1.0
O H:ILE1 2.6 70.5 1.0
N H:MET0 2.6 83.7 1.0
C H:ILE1 2.7 73.1 1.0
CA H:ILE1 2.9 76.8 1.0
CE1 H:HIS31 2.9 55.2 1.0
CD2 H:HIS31 3.0 54.5 1.0
C H:MET0 3.2 82.2 1.0
CA H:MET0 3.5 83.2 1.0
CG2 H:ILE1 3.5 78.9 1.0
N H:GLN2 3.6 69.9 1.0
CB H:ILE1 3.8 78.5 1.0
OE1 H:GLN2 4.0 75.3 1.0
ND1 H:HIS31 4.0 53.5 1.0
CG H:HIS31 4.1 52.9 1.0
CA H:GLN2 4.3 68.5 1.0
O H:MET0 4.3 83.5 1.0
CB H:PHE30 4.4 52.0 1.0
CB H:MET0 4.5 84.7 1.0
CD H:GLN2 4.7 75.1 1.0
CG H:PHE30 4.8 53.6 1.0
CD2 H:PHE30 4.9 53.8 1.0

Copper binding site 9 out of 12 in 3ciq

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Copper binding site 9 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cu100

b:0.6
occ:1.00
NE2 I:HIS31 2.0 54.9 1.0
N I:ILE1 2.2 72.0 1.0
O I:ILE1 2.3 67.6 1.0
N I:MET0 2.7 72.4 1.0
CE1 I:HIS31 2.8 52.4 1.0
C I:ILE1 3.0 70.7 1.0
C I:MET0 3.0 73.6 1.0
CD2 I:HIS31 3.1 53.9 1.0
CA I:ILE1 3.1 71.5 1.0
CA I:MET0 3.1 75.0 1.0
CB I:MET0 3.4 80.1 1.0
ND1 I:HIS31 4.0 52.2 1.0
O I:MET0 4.1 73.4 1.0
CG1 I:ILE1 4.1 71.9 1.0
N I:GLN2 4.1 72.0 1.0
CG I:HIS31 4.1 53.2 1.0
NE2 I:GLN2 4.2 81.6 1.0
CB I:ILE1 4.2 73.0 1.0
CG I:MET0 4.6 85.7 1.0
CD I:GLN2 4.7 79.7 1.0
CB I:PHE30 4.8 54.2 1.0
CA I:GLN2 4.8 72.2 1.0

Copper binding site 10 out of 12 in 3ciq

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Copper binding site 10 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cu100

b:80.8
occ:1.00
N J:ILE1 1.9 58.5 1.0
NE2 J:HIS31 2.0 52.5 1.0
N J:MET0 2.3 68.7 1.0
O J:ILE1 2.4 44.2 1.0
C J:MET0 2.6 63.5 1.0
C J:ILE1 2.7 48.1 1.0
CA J:ILE1 2.7 52.7 1.0
CD2 J:HIS31 2.9 52.0 1.0
CA J:MET0 2.9 67.5 1.0
CE1 J:HIS31 3.1 53.4 1.0
O J:MET0 3.6 66.3 1.0
N J:GLN2 3.7 47.1 1.0
CB J:ILE1 4.0 54.2 1.0
CG J:HIS31 4.1 47.8 1.0
ND1 J:HIS31 4.1 49.4 1.0
CB J:MET0 4.2 72.1 1.0
CG2 J:ILE1 4.4 55.3 1.0
CG1 J:ILE1 4.4 56.8 1.0
CB J:PHE30 4.5 44.5 1.0
CA J:GLN2 4.5 47.2 1.0
CG J:PHE30 5.0 48.2 1.0

Copper binding site 11 out of 12 in 3ciq

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Copper binding site 11 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 11 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cu100

b:82.2
occ:1.00
NE2 K:HIS31 1.9 52.2 1.0
O K:ILE1 2.3 74.0 1.0
N K:MET0 2.4 77.3 1.0
N K:ILE1 2.6 76.0 1.0
CE1 K:HIS31 2.8 50.3 1.0
C K:MET0 2.9 75.5 1.0
C K:ILE1 2.9 75.6 1.0
CD2 K:HIS31 3.0 53.4 1.0
CA K:MET0 3.2 77.8 1.0
CA K:ILE1 3.3 76.4 1.0
O K:MET0 3.7 74.7 1.0
ND1 K:HIS31 3.9 50.4 1.0
N K:GLN2 4.0 74.8 1.0
CG K:HIS31 4.1 51.0 1.0
CG1 K:ILE1 4.5 76.1 1.0
CB K:MET0 4.5 82.3 1.0
CB K:ILE1 4.5 77.2 1.0
CA K:GLN2 4.6 73.9 1.0
CB K:PHE30 4.6 51.7 1.0
OE1 K:GLN2 4.7 89.0 1.0
CD2 K:PHE30 5.0 58.5 1.0

Copper binding site 12 out of 12 in 3ciq

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Copper binding site 12 out of 12 in the A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 12 of A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cu100

b:66.0
occ:1.00
NE2 L:HIS31 2.0 60.6 1.0
O L:ILE1 2.0 55.2 1.0
N L:ILE1 2.3 76.5 1.0
N L:MET0 2.7 90.1 1.0
C L:ILE1 2.9 62.4 1.0
CE1 L:HIS31 2.9 60.7 1.0
CD2 L:HIS31 3.0 56.9 1.0
CA L:ILE1 3.1 69.0 1.0
C L:MET0 3.2 83.0 1.0
CA L:MET0 3.4 88.4 1.0
CB L:MET0 3.9 95.2 1.0
CG1 L:ILE1 3.9 70.2 1.0
ND1 L:HIS31 4.0 56.4 1.0
CB L:ILE1 4.1 72.4 1.0
N L:GLN2 4.1 59.8 1.0
CG L:HIS31 4.1 52.3 1.0
OE1 L:GLN2 4.2 58.5 1.0
O L:MET0 4.2 85.4 1.0
CA L:GLN2 4.8 57.1 1.0
CB L:PHE30 4.8 53.4 1.0
CD L:GLN2 4.9 66.7 1.0
CG L:MET0 5.0 0.3 1.0

Reference:

M.F.Calabrese, C.M.Eakin, J.M.Wang, A.D.Miranker. A Regulatable Switch Mediates Self-Association in An Immunoglobulin Fold. Nat.Struct.Mol.Biol. V. 15 965 2008.
ISSN: ISSN 1545-9993
PubMed: 19172750
Page generated: Thu Sep 3 17:09:26 2020
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