Calcium in PDB 5m2o: R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin

The structure of R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin, PDB code: 5m2o was solved by P.Bule, S.Najmudin, A.L.Carvalho, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.27 / 1.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.767, 63.510, 84.482, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 15.4

The binding sites of Calcium atom in the R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin (pdb code 5m2o). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin, PDB code: 5m2o:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:4.7 occ:1.00 OD1 B:ASP30 2.3 5.3 1.0 O B:ILE36 2.3 6.9 1.0 OD1 B:ASP34 2.3 5.8 1.0 OD1 B:ASN32 2.4 4.6 1.0 O B:HOH312 2.5 6.1 1.0 OD1 B:ASP41 2.5 4.3 1.0 OD2 B:ASP41 2.5 4.3 1.0 CG B:ASP41 2.8 3.8 1.0 CG B:ASP34 3.2 5.6 1.0 CG B:ASN32 3.3 4.5 1.0 CG B:ASP30 3.5 5.1 1.0 C B:ILE36 3.5 5.2 1.0 ND2 B:ASN32 3.7 5.4 1.0 OD2 B:ASP34 3.7 6.4 1.0 CA B:ASP30 4.1 4.4 1.0 N B:ASP34 4.1 5.9 1.0 N B:ILE36 4.2 5.9 1.0 CB B:ASP30 4.3 4.6 1.0 OD2 B:ASP30 4.3 5.3 1.0 CB B:ASP41 4.3 3.9 1.0 CB B:ASP34 4.3 5.9 1.0 CA B:VAL37 4.4 4.0 1.0 N B:VAL37 4.4 4.4 1.0 N B:ASN32 4.4 4.5 1.0 CG1 B:ILE36 4.5 9.4 1.0 C B:ASP30 4.5 4.2 1.0 CA B:ILE36 4.5 6.4 1.0 CB B:ASN32 4.6 5.0 1.0 N B:CYS33 4.6 5.1 1.0 N B:ASP38 4.6 3.8 1.0 CA B:ASP34 4.6 5.8 1.0 OD1 B:ASP38 4.6 5.0 1.0 N B:GLY35 4.7 5.5 1.0 N B:ALA31 4.7 3.8 1.0 CA B:ASN32 4.8 4.7 1.0 C B:ASN32 4.8 5.1 1.0 C B:ASP34 4.9 5.6 1.0 C B:VAL37 5.0 4.1 1.0 N B:ASP41 5.0 3.5 1.0 CA B:ASP41 5.0 3.6 1.0

Calcium binding site 2 out of 2 in the R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of R. Flavefaciens' Third Scab Cohesin in Complex with A Group 1 Dockerin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:4.4 occ:1.00 O B:THR68 2.3 5.5 1.0 OD1 B:ASP66 2.3 5.1 1.0 O B:GLY73 2.4 5.7 1.0 O B:HOH330 2.4 6.0 1.0 OD1 B:ASP72 2.4 6.1 1.0 OD2 B:ASP78 2.5 3.9 1.0 OD1 B:ASP78 2.7 3.9 1.0 CG B:ASP78 2.9 3.8 1.0 CG B:ASP66 3.4 4.7 1.0 CG B:ASP72 3.4 8.0 1.0 C B:THR68 3.6 5.8 1.0 C B:GLY73 3.6 5.1 1.0 OD2 B:ASP72 3.8 11.0 1.0 OD2 B:ASP66 4.0 7.2 1.0 N B:THR68 4.2 4.7 1.0 N B:GLY73 4.2 5.5 1.0 O B:HOH355 4.3 14.1 1.0 CA B:ASP66 4.4 3.7 1.0 CB B:ASP66 4.4 4.4 1.0 CB B:ASP78 4.4 3.3 1.0 CA B:GLY69 4.4 8.4 1.0 CA B:VAL74 4.4 5.1 1.0 N B:GLY69 4.4 7.1 1.0 N B:VAL74 4.5 5.1 1.0 N B:THR75 4.5 5.0 1.0 CA B:GLY73 4.5 5.4 1.0 CA B:THR68 4.5 5.2 1.0 N B:VAL67 4.6 4.1 1.0 N B:ASP72 4.6 6.9 1.0 OG1 B:THR75 4.7 5.9 1.0 CB B:ASP72 4.7 7.3 1.0 C B:ASP66 4.7 4.1 1.0 CG2 B:THR68 4.8 6.9 1.0 C B:ASP72 4.8 7.1 1.0 C B:VAL74 4.9 5.9 1.0 CA B:ASP72 4.9 6.7 1.0 C B:GLY69 5.0 9.4 1.0

P.Bule, V.D.Alves, V.Israeli-Ruimy, A.L.Carvalho, L.M.Ferreira, S.P.Smith, H.J.Gilbert, S.Najmudin, E.A.Bayer, C.M.Fontes. Assembly of Ruminococcus Flavefaciens Cellulosome Revealed By Structures of Two Cohesin-Dockerin Complexes. Sci Rep V. 7 759 2017.
ISSN: ESSN 2045-2322
PubMed: 28389644
DOI: 10.1038/S41598-017-00919-W