Calcium in PDB 6dyc: Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3

The structure of Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3, PDB code: 6dyc was solved by F.A.Tezcan, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.52 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	33.239, 83.290, 39.170, 90.00, 100.49, 90.00
R / Rfree (%)	17.6 / 19.2

The structure of Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3 also contains other interesting chemical elements:

Cobalt	(Co)	1 atom
Iron	(Fe)	2 atoms

The binding sites of Calcium atom in the Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3 (pdb code 6dyc). 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 Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3, PDB code: 6dyc:

Calcium binding site 1 out of 1 in the Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:67.9 occ:1.00 OD2 B:ASP2 2.6 31.5 0.4 OD1 B:ASP2 2.6 29.6 0.4 CG B:ASP2 2.9 30.5 0.4 O B:HOH307 3.3 32.3 1.0 HB2 B:ASP2 3.4 34.7 0.6 HG3 B:GLU4 3.5 38.2 1.0 CD B:GLU4 4.0 52.0 1.0 HB2 B:GLU4 4.0 23.1 1.0 H B:GLU4 4.0 19.9 1.0 OE2 B:GLU4 4.1 50.0 1.0 O B:HOH301 4.1 40.3 1.0 CG B:GLU4 4.2 31.8 1.0 OD2 B:ASP2 4.2 35.9 0.6 CB B:ASP2 4.2 28.9 0.6 CB B:ASP2 4.3 28.4 0.4 CG B:ASP2 4.3 25.0 0.6 OE1 B:GLU4 4.4 52.5 1.0 HB3 B:ASP2 4.5 34.1 0.4 HB2 B:ASP2 4.5 34.1 0.4 HB3 B:ASP2 4.6 34.7 0.6 H B:LEU3 4.6 23.2 1.0 CB B:GLU4 4.6 19.2 1.0 O2D B:HEC201 4.7 29.9 1.0 OD1 B:ASP2 4.9 24.5 0.6 N B:GLU4 4.9 16.6 1.0 HB3 B:LEU3 4.9 22.5 1.0 O B:HOH349 4.9 30.3 1.0

J.Rittle, M.J.Field, M.T.Green, F.A.Tezcan. An Efficient, Step-Economical Strategy For the Design of Functional Metalloproteins. Nat.Chem. V. 11 434 2019.
ISSN: ESSN 1755-4349
PubMed: 30778140
DOI: 10.1038/S41557-019-0218-9