Calcium in PDB 2y3n: Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens

The structure of Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens, PDB code: 2y3n was solved by A.Viegas, A.L.Carvalho, M.J.Romao, J.A.M.Prates, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.74 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.410, 116.120, 45.160, 90.00, 112.45, 90.00
R / Rfree (%)	16.329 / 22.491

The binding sites of Calcium atom in the Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens (pdb code 2y3n). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens, PDB code: 2y3n:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1067 b:25.6 occ:1.00 O B:VAL47 2.2 35.1 1.0 OD1 B:ASN43 2.2 25.8 1.0 O B:HOH2032 2.3 28.4 1.0 OD1 B:ASP45 2.4 37.0 1.0 OD1 B:ASP41 2.5 36.9 1.0 OD2 B:ASP52 2.5 22.7 1.0 OD1 B:ASP52 2.6 23.5 1.0 CG B:ASP52 2.9 23.0 1.0 CG B:ASN43 3.2 30.9 1.0 CG B:ASP45 3.3 42.4 1.0 C B:VAL47 3.4 37.5 1.0 ND2 B:ASN43 3.6 29.9 1.0 OD2 B:ASP45 3.6 39.7 1.0 CG B:ASP41 3.7 38.0 1.0 N B:ASP45 4.1 44.0 1.0 N B:VAL47 4.2 42.9 1.0 CG1 B:VAL47 4.3 40.0 1.0 N B:ASN43 4.3 31.9 1.0 CA B:VAL47 4.3 41.9 1.0 CA B:ASP41 4.3 36.8 1.0 N B:ILE48 4.3 24.8 1.0 OD1 B:ASN49 4.4 23.7 1.0 OD2 B:ASP41 4.4 40.9 1.0 CB B:ASP52 4.4 18.4 1.0 CA B:ILE48 4.5 23.0 1.0 CB B:ASP45 4.5 45.3 1.0 N B:ASN44 4.5 39.3 1.0 C B:ASP41 4.5 35.9 1.0 CB B:ASP41 4.5 38.5 1.0 CB B:ASN43 4.6 33.7 1.0 N B:LEU42 4.6 32.6 1.0 N B:ASN49 4.6 20.9 1.0 CA B:ASP45 4.7 46.3 1.0 CA B:ASN43 4.8 34.3 1.0 C B:ASN43 4.8 37.6 1.0 N B:ASP52 4.8 19.9 1.0 C B:ASP45 4.9 47.8 1.0 N B:GLY46 5.0 47.6 1.0 CB B:VAL47 5.0 42.7 1.0

Calcium binding site 2 out of 4 in the Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1068 b:22.9 occ:1.00 OD1 B:ASP19 2.4 21.7 1.0 O B:VAL14 2.4 23.3 1.0 OD1 B:ASP8 2.4 21.6 1.0 O B:HOH2016 2.5 21.5 1.0 OD1 B:ASN10 2.5 21.1 1.0 OD2 B:ASP19 2.5 21.8 1.0 OD1 B:ASP12 2.5 26.2 1.0 CG B:ASP19 2.8 20.9 1.0 CG B:ASP12 3.4 28.4 1.0 CG B:ASP8 3.5 23.5 1.0 CG B:ASN10 3.5 24.1 1.0 C B:VAL14 3.6 23.6 1.0 OD2 B:ASP12 3.7 22.8 1.0 ND2 B:ASN10 3.9 21.5 1.0 CA B:ASP8 4.1 23.2 1.0 N B:VAL14 4.3 25.5 1.0 CB B:ASP19 4.3 19.0 1.0 N B:ASP12 4.3 27.5 1.0 CB B:ASP8 4.3 24.1 1.0 OD2 B:ASP8 4.3 27.2 1.0 N B:ASN10 4.4 27.0 1.0 C B:ASP8 4.4 26.0 1.0 CG2 B:VAL14 4.4 24.1 1.0 CA B:ILE15 4.4 20.5 1.0 N B:ILE15 4.4 22.8 1.0 CA B:VAL14 4.5 24.6 1.0 N B:LEU9 4.6 24.2 1.0 OD1 B:ASN16 4.6 21.1 1.0 CB B:ASP12 4.6 28.1 1.0 N B:ASN16 4.7 21.2 1.0 N B:GLY11 4.7 29.5 1.0 CA B:ASP12 4.8 29.0 1.0 CB B:ASN10 4.8 27.2 1.0 CD1 B:ILE15 4.8 29.6 1.0 N B:ASP19 4.8 18.1 1.0 CA B:ASN10 4.9 27.9 1.0 N B:GLY13 4.9 27.4 1.0 C B:ASN10 4.9 29.3 1.0 CA B:ASP19 5.0 19.1 1.0 C B:ASP12 5.0 28.5 1.0

Calcium binding site 3 out of 4 in the Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1065 b:27.3 occ:1.00 OD1 D:ASP12 2.3 32.4 1.0 O D:VAL14 2.4 26.8 1.0 OD1 D:ASN10 2.4 35.0 1.0 OD1 D:ASP8 2.4 28.4 1.0 O D:HOH2010 2.5 28.4 1.0 OD1 D:ASP19 2.5 31.5 1.0 OD2 D:ASP19 2.5 25.2 1.0 CG D:ASP19 2.8 29.2 1.0 CG D:ASP12 3.2 34.1 1.0 CG D:ASN10 3.4 34.7 1.0 OD2 D:ASP12 3.5 32.2 1.0 C D:VAL14 3.6 26.3 1.0 CG D:ASP8 3.6 36.1 1.0 ND2 D:ASN10 3.9 32.7 1.0 N D:ASP12 4.2 36.1 1.0 CA D:ASP8 4.2 36.4 1.0 N D:ASN10 4.3 38.8 1.0 N D:VAL14 4.3 30.9 1.0 CB D:ASP19 4.3 30.7 1.0 CB D:ASP12 4.4 34.3 1.0 OD2 D:ASP8 4.4 33.2 1.0 CG2 D:VAL14 4.5 26.0 1.0 C D:ASP8 4.5 37.8 1.0 CB D:ASP8 4.5 36.2 1.0 CA D:ILE15 4.5 24.4 1.0 N D:ILE15 4.5 23.2 1.0 N D:LEU9 4.5 37.4 1.0 CA D:VAL14 4.5 28.2 1.0 N D:GLY11 4.6 39.6 1.0 OD1 D:ASN16 4.6 26.0 1.0 CB D:ASN10 4.7 37.5 1.0 CA D:ASP12 4.7 35.8 1.0 C D:ASN10 4.7 39.2 1.0 N D:ASN16 4.7 21.9 1.0 CA D:ASN10 4.8 39.2 1.0 N D:GLY13 4.9 34.4 1.0 N D:ASP19 5.0 28.2 1.0 C D:ASP12 5.0 34.2 1.0

Calcium binding site 4 out of 4 in the Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1066 b:61.8 occ:1.00 OD1 D:ASP52 2.5 61.4 1.0 OD1 D:ASP45 2.5 63.0 1.0 O D:VAL47 2.7 56.1 1.0 CG D:ASP45 3.0 71.5 1.0 O D:HOH2014 3.1 46.4 1.0 CG D:ASP52 3.1 58.3 1.0 OD2 D:ASP52 3.2 58.1 1.0 OD2 D:ASP45 3.3 67.7 1.0 CB D:ASP45 3.9 80.8 1.0 O D:HOH2013 3.9 58.7 1.0 N D:ASP45 3.9 83.4 1.0 C D:VAL47 4.0 57.4 1.0 CA D:ASP45 4.3 85.1 1.0 CB D:ASP52 4.4 54.7 1.0 N D:VAL47 4.6 66.8 1.0 C D:ASP45 4.8 83.1 1.0 N D:GLY46 4.8 81.3 1.0 CA D:VAL47 4.8 60.7 1.0 N D:ASP52 4.9 57.1 1.0 N D:ILE48 4.9 55.7 1.0 CA D:ILE48 4.9 54.7 1.0 CA D:ASP52 4.9 55.4 1.0

A.Viegas, A.L.Carvalho, J.A.M.Prates, M.J.Romao, C.M.G.A.Fontes. Type II Cohesin-Dockerin Domain From Bacteroides Cellolosolvens To Be Published.