Zinc in PDB 6z0m: Het-Ncap - De Novo Designed Three-Helix Heterodimer with Cysteine at the Ncap Position of the Alpha-Helix

The structure of Het-Ncap - De Novo Designed Three-Helix Heterodimer with Cysteine at the Ncap Position of the Alpha-Helix, PDB code: 6z0m was solved by A.G.Mcewen, P.Poussin-Courmontagne, E.A.Naudin, W.F.Degrado, V.Torbeev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.25 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.875, 73.097, 84.128, 90, 105.02, 90
R / Rfree (%)	15.2 / 20.7

The binding sites of Zinc atom in the Het-Ncap - De Novo Designed Three-Helix Heterodimer with Cysteine at the Ncap Position of the Alpha-Helix (pdb code 6z0m). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Het-Ncap - De Novo Designed Three-Helix Heterodimer with Cysteine at the Ncap Position of the Alpha-Helix, PDB code: 6z0m:

Zinc binding site 1 out of 1 in the Het-Ncap - De Novo Designed Three-Helix Heterodimer with Cysteine at the Ncap Position of the Alpha-Helix


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Het-Ncap - De Novo Designed Three-Helix Heterodimer with Cysteine at the Ncap Position of the Alpha-Helix within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn101 b:51.7 occ:0.70 O C:HOH147 2.1 44.8 1.0 SG H:CYS1 2.3 50.5 1.0 SG D:CYS1 2.3 56.5 1.0 O D:HOH264 2.8 42.4 1.0 HB3 D:CYS1 3.3 65.6 1.0 HB2 H:CYS1 3.3 57.6 1.0 CB D:CYS1 3.4 54.6 1.0 CB H:CYS1 3.5 48.0 1.0 O C:HOH170 3.6 61.4 1.0 HB2 D:CYS1 3.7 65.6 1.0 HB2 D:ALA4 3.8 43.5 1.0 HB3 H:ALA3 3.8 44.7 1.0 O H:HOH171 4.1 58.0 1.0 HD22 C:ASN1 4.1 80.3 1.0 HB3 H:CYS1 4.1 57.6 1.0 HA H:CYS1 4.2 49.7 1.0 O G:HOH102 4.5 58.9 1.0 CA H:CYS1 4.5 41.5 1.0 H D:ALA4 4.5 35.6 1.0 HB3 D:ALA3 4.5 44.5 1.0 CB D:ALA4 4.7 36.2 1.0 H H:ALA4 4.7 32.9 1.0 CB H:ALA3 4.7 37.2 1.0 ND2 C:ASN1 4.7 66.9 1.0 HB3 D:ALA4 4.7 43.5 1.0 CA D:CYS1 4.8 49.4 1.0 H D:CYS1 4.8 67.1 1.0 HB2 H:ALA4 4.9 35.6 1.0 O G:HOH101 4.9 58.9 1.0 HB2 G:ASN1 4.9 52.0 1.0 H H:ALA3 4.9 33.3 1.0 HD21 C:ASN1 4.9 80.3 1.0 HB2 H:ALA3 4.9 44.7 1.0

E.A.Naudin, A.G.Mcewen, S.K.Tan, P.Poussin-Courmontagne, J.L.Schmitt, C.Birck, W.F.Degrado, V.Torbeev. Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of Alpha-Helix As Oxyanion-Binding Site. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 33635059
DOI: 10.1021/JACS.0C10053