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Copper in PDB 5u59: Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate

Protein crystallography data

The structure of Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate, PDB code: 5u59 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) 26.09 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 36.326, 52.170, 25.581, 90.00, 103.98, 90.00
R / Rfree (%) 22.6 / 25.7

Copper Binding Sites:

The binding sites of Copper atom in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate (pdb code 5u59). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate, PDB code: 5u59:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 5u59

Go back to Copper Binding Sites List in 5u59
Copper binding site 1 out of 2 in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate


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: Dimer Fold Grown with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu101

b:55.1
occ:1.00
O3 A:CIT103 1.8 47.6 1.0
NT2 A:7WJ7 2.0 44.1 1.0
NU3 A:7WJ7 2.2 50.7 1.0
NU1 A:7WJ7 2.2 49.6 1.0
C5 A:CIT103 2.7 47.1 1.0
O4 A:CIT103 2.9 50.3 1.0
CS2 A:7WJ7 2.9 39.2 1.0
CS1 A:7WJ7 2.9 44.1 1.0
CT3 A:7WJ7 2.9 34.4 1.0
CT1 A:7WJ7 3.0 52.9 1.0
CV3 A:7WJ7 3.2 34.2 1.0
CV1 A:7WJ7 3.2 49.7 1.0
C4 A:CIT103 4.1 59.9 1.0
CR2 A:7WJ7 4.2 39.4 1.0
CR1 A:7WJ7 4.2 38.8 1.0
CU4 A:7WJ7 4.3 42.3 1.0
CU2 A:7WJ7 4.3 57.4 1.0
CW2 A:7WJ7 4.5 42.9 1.0
CW1 A:7WJ7 4.5 64.6 1.0
CQ A:7WJ7 4.7 40.9 1.0
C2 A:CIT103 4.8 70.3 1.0
O7 A:CIT103 4.8 63.7 1.0
C3 A:CIT103 4.8 65.8 1.0
CV4 A:7WJ7 4.9 45.7 1.0
CV2 A:7WJ7 4.9 48.6 1.0

Copper binding site 2 out of 2 in 5u59

Go back to Copper Binding Sites List in 5u59
Copper binding site 2 out of 2 in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate


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: Dimer Fold Grown with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu102

b:61.5
occ:1.00
O2 A:CIT104 1.8 80.4 1.0
NT2 A:7WJ27 2.0 50.1 1.0
NU3 A:7WJ27 2.2 61.7 1.0
NU1 A:7WJ27 2.2 47.5 1.0
C1 A:CIT104 2.8 68.3 1.0
O A:HOH215 2.9 53.0 1.0
CS2 A:7WJ27 2.9 47.9 1.0
CS1 A:7WJ27 2.9 41.8 1.0
CT3 A:7WJ27 2.9 53.7 1.0
CT1 A:7WJ27 3.0 40.6 1.0
O1 A:CIT104 3.0 58.9 1.0
CV1 A:7WJ27 3.2 53.1 1.0
CV3 A:7WJ27 3.2 55.4 1.0
O7 A:CIT104 4.1 87.8 1.0
C2 A:CIT104 4.2 79.0 1.0
CR2 A:7WJ27 4.2 49.1 1.0
CR1 A:7WJ27 4.2 47.4 1.0
CU4 A:7WJ27 4.3 59.4 1.0
CU2 A:7WJ27 4.3 37.0 1.0
O A:HOH205 4.4 70.3 1.0
CW1 A:7WJ27 4.5 52.3 1.0
CW2 A:7WJ27 4.5 47.3 1.0
O4 A:CIT104 4.7 87.5 1.0
CQ A:7WJ27 4.7 44.1 1.0
C3 A:CIT104 4.8 87.0 1.0
CV4 A:7WJ27 4.9 61.4 1.0
CV2 A:7WJ27 4.9 48.0 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: Sun Dec 13 11:19:45 2020

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