Copper in PDB 7l33: X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer

Protein crystallography data

The structure of X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer, PDB code: 7l33 was solved by S.Chakraborty, Z.Wawrzak, P.Prasad, S.Mitra, D.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.91 / 1.45
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 39.26, 39.26, 83.63, 90, 90, 120
R / Rfree (%) 26.9 / 29.5

Copper Binding Sites:

The binding sites of Copper atom in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer (pdb code 7l33). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer, PDB code: 7l33:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in 7l33

Go back to Copper Binding Sites List in 7l33
Copper binding site 1 out of 3 in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu101

b:87.9
occ:0.33
NE2 A:HIS9 2.0 64.0 1.0
CD2 A:HIS9 2.2 62.1 1.0
CE1 A:HIS9 3.2 60.8 1.0
CG A:HIS9 3.5 50.7 1.0
ND1 A:HIS9 3.9 61.6 1.0
CG2 A:ILE5 4.6 35.5 1.0
CB A:HIS9 4.7 42.6 1.0
CD1 A:ILE12 4.7 44.2 1.0
CA A:HIS9 4.8 39.9 1.0
O A:ILE5 5.0 31.1 1.0

Copper binding site 2 out of 3 in 7l33

Go back to Copper Binding Sites List in 7l33
Copper binding site 2 out of 3 in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu101

b:73.5
occ:0.16
NE2 B:HIS9 2.4 73.4 1.0
CE1 B:HIS9 2.5 72.0 1.0
CD2 B:HIS9 3.2 68.1 1.0
ND1 B:HIS9 3.3 78.4 1.0
CG2 B:ILE5 3.6 58.8 1.0
CG B:HIS9 3.7 64.4 1.0
O B:ILE5 4.8 62.7 1.0
CB B:ILE5 5.0 54.6 1.0

Copper binding site 3 out of 3 in 7l33

Go back to Copper Binding Sites List in 7l33
Copper binding site 3 out of 3 in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cu101

b:82.9
occ:0.33
NE2 C:HIS9 2.1 59.7 1.0
CD2 C:HIS9 2.5 58.8 1.0
CE1 C:HIS9 3.0 60.9 1.0
CG C:HIS9 3.5 48.0 1.0
ND1 C:HIS9 3.7 52.5 1.0
CG2 C:ILE5 4.3 38.5 1.0
CB C:HIS9 4.7 47.6 1.0
O C:ILE5 4.9 31.9 1.0
CA C:HIS9 4.9 43.5 1.0
CD1 C:ILE12 5.0 49.7 1.0

Reference:

S.Mitra, D.Prakash, K.Rajabimoghadam, Z.Wawrzak, P.Prasad, T.Wu, S.K.Misra, J.S.Sharp, I.Garcia-Bosch, S.Chakraborty. De Novo Design of A Self-Assembled Artificial Copper Peptide That Activates and Reduces Peroxide Acs Catalysis V. 11 10267 2021.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C02132
Page generated: Sat Aug 21 13:32:05 2021

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