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Copper in PDB 5u5c: Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold

Protein crystallography data

The structure of Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold, PDB code: 5u5c was solved by N.A.Tavenor, M.J.Murnin, W.S.Horne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.09 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 114.297, 38.642, 44.198, 90.00, 90.00, 90.00
R / Rfree (%) 26.3 / 27.6

Copper Binding Sites:

The binding sites of Copper atom in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold (pdb code 5u5c). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold, PDB code: 5u5c:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in 5u5c

Go back to Copper Binding Sites List in 5u5c
Copper binding site 1 out of 6 in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu101

b:65.8
occ:1.00
 NT2 B:7WJ14 2.0 62.8 1.0
NU3 B:7WJ14 2.2 61.6 1.0
NU1 B:7WJ14 2.2 62.6 1.0
O B:HOH215 2.6 62.3 1.0
CS1 B:7WJ14 2.9 61.8 1.0
CS2 B:7WJ14 2.9 60.2 1.0
CT3 B:7WJ14 2.9 60.4 1.0
CT1 B:7WJ14 2.9 63.8 1.0
CV1 B:7WJ14 3.2 63.6 1.0
CV3 B:7WJ14 3.2 62.7 1.0
CR1 B:7WJ14 4.2 60.0 1.0
CR2 B:7WJ14 4.2 57.6 1.0
CU4 B:7WJ14 4.3 58.4 1.0
CU2 B:7WJ14 4.3 65.1 1.0
CW1 B:7WJ14 4.5 62.2 1.0
CW2 B:7WJ14 4.5 64.7 1.0
CQ B:7WJ14 4.7 57.4 1.0
CV2 B:7WJ14 4.9 62.6 1.0
CV4 B:7WJ14 4.9 63.4 1.0

Copper binding site 2 out of 6 in 5u5c

Go back to Copper Binding Sites List in 5u5c
Copper binding site 2 out of 6 in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu101

b:60.1
occ:1.00
 NT2 C:7WJ14 2.0 53.1 1.0
NU1 C:7WJ14 2.2 59.3 1.0
NU3 C:7WJ14 2.2 53.4 1.0
CS1 C:7WJ14 2.9 51.8 1.0
CS2 C:7WJ14 2.9 50.9 1.0
CT1 C:7WJ14 2.9 55.4 1.0
CT3 C:7WJ14 2.9 52.6 1.0
CV3 C:7WJ14 3.2 51.7 1.0
CV1 C:7WJ14 3.2 60.5 1.0
CR1 C:7WJ14 4.2 48.8 1.0
CR2 C:7WJ14 4.2 50.0 1.0
CU2 C:7WJ14 4.3 55.8 1.0
CU4 C:7WJ14 4.3 53.4 1.0
CW2 C:7WJ14 4.5 51.4 1.0
CW1 C:7WJ14 4.5 59.8 1.0
CQ C:7WJ14 4.7 48.3 1.0
CV2 C:7WJ14 4.9 57.8 1.0
CV4 C:7WJ14 4.9 53.1 1.0

Copper binding site 3 out of 6 in 5u5c

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Copper binding site 3 out of 6 in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu101

b:56.6
occ:1.00
 OE2 D:GLU1 1.9 53.3 1.0
NT2 F:7WJ14 2.0 51.5 1.0
NU3 F:7WJ14 2.2 50.5 1.0
NU1 F:7WJ14 2.2 52.0 1.0
CD D:GLU1 2.7 47.3 1.0
O F:HOH213 2.8 46.4 1.0
OE1 D:GLU1 2.8 45.3 1.0
CS1 F:7WJ14 2.9 52.9 1.0
CS2 F:7WJ14 2.9 50.8 1.0
CT1 F:7WJ14 2.9 53.0 1.0
CT3 F:7WJ14 2.9 51.1 1.0
CV3 F:7WJ14 3.2 49.3 1.0
CV1 F:7WJ14 3.2 52.1 1.0
NZ A:LYS6 3.6 49.0 1.0
CG D:GLU1 4.1 43.4 1.0
CR1 F:7WJ14 4.2 51.6 1.0
CR2 F:7WJ14 4.2 49.5 1.0
CB A:ALA3 4.2 43.3 1.0
CU4 F:7WJ14 4.3 53.1 1.0
CU2 F:7WJ14 4.3 55.2 1.0
CW2 F:7WJ14 4.5 52.2 1.0
CW1 F:7WJ14 4.5 55.6 1.0
CQ F:7WJ14 4.7 50.0 1.0
O A:HOH201 4.9 46.4 1.0
CE A:LYS6 4.9 46.2 1.0
CV4 F:7WJ14 4.9 53.9 1.0
CV2 F:7WJ14 4.9 55.5 1.0

Copper binding site 4 out of 6 in 5u5c

Go back to Copper Binding Sites List in 5u5c
Copper binding site 4 out of 6 in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu101

b:55.4
occ:1.00
 OE2 E:GLU1 1.9 47.4 1.0
NT2 A:7WJ14 2.0 46.0 1.0
O E:HOH210 2.2 50.6 1.0
NU3 A:7WJ14 2.2 46.3 1.0
NU1 A:7WJ14 2.2 47.5 1.0
CD E:GLU1 2.7 43.6 1.0
CS2 A:7WJ14 2.9 45.6 1.0
CS1 A:7WJ14 2.9 46.0 1.0
OE1 E:GLU1 2.9 42.0 1.0
CT3 A:7WJ14 2.9 48.2 1.0
CT1 A:7WJ14 2.9 47.4 1.0
NZ F:LYS6 3.1 44.8 0.7
CV1 A:7WJ14 3.2 51.7 1.0
CV3 A:7WJ14 3.2 46.2 1.0
NZ F:LYS6 3.8 43.4 0.3
CG E:GLU1 4.1 43.3 1.0
CE F:LYS6 4.1 42.8 0.7
CR1 A:7WJ14 4.2 44.5 1.0
CR2 A:7WJ14 4.2 46.4 1.0
O F:HOH201 4.3 46.7 1.0
CU4 A:7WJ14 4.3 48.7 1.0
CU2 A:7WJ14 4.3 46.7 1.0
CW1 A:7WJ14 4.5 49.1 1.0
CW2 A:7WJ14 4.5 46.9 1.0
CQ A:7WJ14 4.7 45.5 1.0
CV2 A:7WJ14 4.9 47.4 1.0
CV4 A:7WJ14 4.9 53.0 1.0

Copper binding site 5 out of 6 in 5u5c

Go back to Copper Binding Sites List in 5u5c
Copper binding site 5 out of 6 in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu102

b:67.7
occ:1.00
 OE2 E:GLU7 1.9 63.6 1.0
NT2 D:7WJ14 2.0 63.2 1.0
O D:HOH204 2.2 65.9 1.0
NU1 D:7WJ14 2.2 64.1 1.0
NU3 D:7WJ14 2.2 64.4 1.0
CD E:GLU7 2.7 54.5 1.0
O E:HOH202 2.8 58.1 1.0
OE1 E:GLU7 2.9 55.7 1.0
CS2 D:7WJ14 2.9 63.1 1.0
CS1 D:7WJ14 2.9 61.6 1.0
CT1 D:7WJ14 2.9 62.7 1.0
CT3 D:7WJ14 2.9 64.5 1.0
CV3 D:7WJ14 3.2 64.3 1.0
CV1 D:7WJ14 3.2 65.3 1.0
CG E:GLU7 4.1 44.3 1.0
CR2 D:7WJ14 4.2 60.4 1.0
CR1 D:7WJ14 4.2 58.5 1.0
CU2 D:7WJ14 4.3 61.7 1.0
CU4 D:7WJ14 4.3 65.3 1.0
O D:HOH216 4.3 65.5 1.0
CW2 D:7WJ14 4.5 69.2 1.0
CW1 D:7WJ14 4.5 66.0 1.0
CQ D:7WJ14 4.7 57.9 1.0
CV2 D:7WJ14 4.9 62.5 1.0
CV4 D:7WJ14 4.9 70.5 1.0

Copper binding site 6 out of 6 in 5u5c

Go back to Copper Binding Sites List in 5u5c
Copper binding site 6 out of 6 in the Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Coiled Coil Peptide Metal Coordination Framework: Tetramer Fold within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cu103

b:57.2
occ:1.00
 NT2 E:7WJ14 2.0 47.3 1.0
NU1 E:7WJ14 2.2 50.2 1.0
NU3 E:7WJ14 2.2 47.1 1.0
CS1 E:7WJ14 2.9 48.0 1.0
CS2 E:7WJ14 2.9 45.3 1.0
CT3 E:7WJ14 2.9 45.1 1.0
CT1 E:7WJ14 2.9 49.9 1.0
CV1 E:7WJ14 3.2 52.5 1.0
CV3 E:7WJ14 3.2 45.5 1.0
CR1 E:7WJ14 4.2 45.1 1.0
CR2 E:7WJ14 4.2 42.8 1.0
CU4 E:7WJ14 4.3 44.8 1.0
CU2 E:7WJ14 4.3 55.4 1.0
CW1 E:7WJ14 4.5 55.7 1.0
CW2 E:7WJ14 4.5 45.3 1.0
CQ E:7WJ14 4.7 42.9 1.0
CV2 E:7WJ14 4.9 54.8 1.0
CV4 E:7WJ14 4.9 46.0 1.0

Reference:

N.A.Tavenor, M.J.Murnin, W.S.Horne. Supramolecular Metal-Coordination Polymers, Nets, and Frameworks From Synthetic Coiled-Coil Peptides. J. Am. Chem. Soc. V. 139 2212 2017.
ISSN: ESSN 1520-5126
PubMed: 28161945
DOI: 10.1021/JACS.7B00651
Page generated: Wed Jul 31 05:12:36 2024

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