Calcium in PDB 6ug2: C2 Symmetric Peptide Design Number 1, Zappy, Crystal Form 2

The structure of C2 Symmetric Peptide Design Number 1, Zappy, Crystal Form 2, PDB code: 6ug2 was solved by V.K.Mulligan, C.S.Kang, I.Antselovich, M.R.Sawaya, T.O.Yeates, D.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 1.10
Space group	P -1
Cell size a, b, c (Å), α, β, γ (°)	9.810, 17.050, 20.590, 105.16, 92.17, 105.93
R / Rfree (%)	15.1 / 18.2

The binding sites of Calcium atom in the C2 Symmetric Peptide Design Number 1, Zappy, Crystal Form 2 (pdb code 6ug2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the C2 Symmetric Peptide Design Number 1, Zappy, Crystal Form 2, PDB code: 6ug2:

Calcium binding site 1 out of 1 in the C2 Symmetric Peptide Design Number 1, Zappy, Crystal Form 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of C2 Symmetric Peptide Design Number 1, Zappy, Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:7.1 occ:1.00 O A:HOH204 2.4 9.0 1.0 O A:HOH207 2.4 7.3 1.0 OE2 A:DGL2 2.5 7.5 1.0 OE1 A:DGL2 2.6 7.3 1.0 CD A:DGL2 2.9 7.2 1.0 H A:DGL2 4.2 9.7 1.0 CG A:DGL2 4.4 7.2 1.0 O A:HOH209 4.5 21.7 1.0 HB2 A:SER1 4.6 15.3 0.3 OG A:SER1 4.6 5.0 0.4 OG A:SER1 4.7 7.2 0.3 HG2 A:DGL2 4.7 8.6 1.0 HG3 A:DGL2 4.9 8.6 1.0 HB2 A:DGL2 5.0 9.5 1.0

V.K.Mulligan, C.S.Kang, M.R.Sawaya, S.Rettie, X.Li, I.Antselovich, T.W.Craven, A.M.Watkins, J.W.Labonte, F.Dimaio, T.O.Yeates, D.Baker. Computational Design of Mixed Chirality Peptide Macrocycles with Internal Symmetry. Protein Sci. V. 29 2433 2020.
ISSN: ESSN 1469-896X
PubMed: 33058266
DOI: 10.1002/PRO.3974