Calcium in PDB 6q7o: Crystal Structure of OE1

The structure of Crystal Structure of OE1, PDB code: 6q7o was solved by C.W.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.43 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.110, 70.530, 52.820, 90.00, 104.24, 90.00
R / Rfree (%)	19.2 / 22.8

The binding sites of Calcium atom in the Crystal Structure of OE1 (pdb code 6q7o). 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 Crystal Structure of OE1, PDB code: 6q7o:

Calcium binding site 1 out of 1 in the Crystal Structure of OE1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of OE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:38.1 occ:1.00 OD2 A:ASP8 2.3 39.5 1.0 O A:HOH487 2.4 35.2 1.0 O A:LEU10 2.4 42.4 1.0 OD1 A:ASP180 2.5 42.9 1.0 O A:HOH439 2.5 35.2 1.0 O A:HOH492 2.6 53.5 1.0 CG A:ASP8 3.3 37.5 1.0 CG A:ASP180 3.4 41.8 1.0 C A:LEU10 3.6 39.7 1.0 OD2 A:ASP180 3.6 44.1 1.0 OD1 A:ASP8 3.6 36.6 1.0 HA3 A:GLY11 3.7 49.7 1.0 O A:HOH486 3.8 47.3 1.0 HG1 A:THR12 3.8 41.0 1.0 H A:ASP180 4.1 45.5 1.0 HB2 A:LEU10 4.1 48.5 1.0 OD2 A:ASP185 4.3 36.1 1.0 CA A:GLY11 4.4 41.4 1.0 HB2 A:ASN181 4.4 40.2 1.0 HZ1 A:LYS155 4.4 35.1 1.0 N A:GLY11 4.4 44.6 1.0 O A:HOH432 4.5 32.0 1.0 CA A:LEU10 4.6 38.2 1.0 CB A:ASP8 4.6 33.8 1.0 HB3 A:ASP8 4.6 40.6 1.0 OG1 A:THR12 4.6 34.1 1.0 N A:LEU10 4.7 37.3 1.0 H A:THR12 4.7 35.8 1.0 CB A:LEU10 4.8 40.4 1.0 CB A:ASP180 4.8 39.5 1.0 C A:GLY11 4.8 37.6 1.0 H A:LEU10 4.8 44.8 1.0 H A:ASN181 4.8 42.3 1.0 N A:ASP180 4.9 37.9 1.0 N A:THR12 4.9 29.8 1.0 HZ2 A:LYS155 4.9 35.1 1.0 HB2 A:ASP8 5.0 40.6 1.0

A.J.Burke, S.L.Lovelock, A.Frese, R.Crawshaw, M.Ortmayer, M.Dunstan, C.Levy, A.P.Green. Design and Evolution of An Enzyme with A Non-Canonical Organocatalytic Mechanism. Nature V. 570 219 2019.
ISSN: ESSN 1476-4687
PubMed: 31132786
DOI: 10.1038/S41586-019-1262-8