Calcium in PDB 2vn5: The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner

The structure of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner, PDB code: 2vn5 was solved by B.A.Pinheiro, J.A.M.Prates, M.R.Proctor, H.J.Gilbert, G.J.Davies, V.A.Money, C.Martinez-Fleites, E.A.Bayer, C.M.G.A.Fontes, H.P.Fierobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.21 / 1.9
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.420, 76.420, 111.095, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 23.4

The binding sites of Calcium atom in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner (pdb code 2vn5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner, PDB code: 2vn5:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:30.3 occ:1.00 OD1 B:ASP42 2.3 31.7 1.0 OD1 B:ASP38 2.4 30.9 1.0 OD1 B:ASN40 2.4 33.1 1.0 O B:GLU44 2.4 28.9 1.0 OD1 B:ASP49 2.4 30.0 1.0 O B:HOH1027 2.5 39.3 1.0 OD2 B:ASP49 2.5 27.9 1.0 CG B:ASP49 2.8 28.7 1.0 CG B:ASP42 3.3 32.0 1.0 CG B:ASP38 3.4 31.8 1.0 C B:GLU44 3.5 29.8 1.0 CG B:ASN40 3.5 35.1 1.0 OD2 B:ASP42 3.8 31.0 1.0 CA B:ASP38 4.0 33.9 1.0 ND2 B:ASN40 4.1 37.3 1.0 CB B:ASP38 4.1 33.8 1.0 N B:ASP42 4.2 31.0 1.0 N B:GLU44 4.2 29.9 1.0 CB B:ASP49 4.3 29.9 1.0 OD1 B:ASN46 4.3 28.1 1.0 C B:ASP38 4.3 34.4 1.0 CA B:GLU44 4.3 30.2 1.0 N B:VAL45 4.3 29.0 1.0 CA B:VAL45 4.3 28.9 1.0 OD2 B:ASP38 4.4 32.2 1.0 N B:ASN40 4.4 35.0 1.0 CB B:ASP42 4.4 30.9 1.0 CB B:GLU44 4.5 30.8 1.0 N B:VAL39 4.6 34.7 1.0 CA B:ASP42 4.7 31.2 1.0 N B:LEU41 4.7 32.7 1.0 CB B:ASN40 4.7 34.9 1.0 N B:ASN46 4.8 29.2 1.0 CA B:ASN40 4.8 34.2 1.0 C B:ASN40 4.9 33.9 1.0 C B:ASP42 4.9 31.0 1.0 O B:ASP38 4.9 33.6 1.0 N B:ASN43 5.0 31.0 1.0 N B:ASP49 5.0 28.7 1.0

Calcium binding site 2 out of 4 in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:29.4 occ:1.00 OD1 B:ASP7 2.3 32.2 1.0 O B:ASN13 2.3 29.9 1.0 OD1 B:ASP11 2.4 31.1 1.0 OD1 B:ASP18 2.4 34.7 1.0 OD1 B:ASN9 2.5 28.5 1.0 O B:HOH1012 2.5 27.9 1.0 OD2 B:ASP18 2.6 36.4 1.0 CG B:ASP18 2.9 33.5 1.0 CG B:ASP11 3.3 30.8 1.0 CG B:ASN9 3.4 33.3 1.0 CG B:ASP7 3.5 30.0 1.0 C B:ASN13 3.5 29.9 1.0 OD2 B:ASP11 3.7 33.7 1.0 ND2 B:ASN9 3.9 36.0 1.0 N B:ASP11 4.1 30.5 1.0 OD2 B:ASP7 4.2 29.7 1.0 CA B:ASP7 4.2 32.5 1.0 N B:ASN13 4.2 30.2 1.0 N B:ASN9 4.2 33.1 1.0 CA B:ASN13 4.3 30.4 1.0 OD1 B:ASP15 4.3 30.1 1.0 C B:ASP7 4.4 33.0 1.0 CB B:ASP18 4.4 31.3 1.0 CB B:ASP11 4.4 31.2 1.0 N B:VAL14 4.4 28.3 1.0 CB B:ASP7 4.4 31.8 1.0 CA B:VAL14 4.4 27.9 1.0 CB B:ASN13 4.4 30.6 1.0 N B:TYR8 4.5 34.3 1.0 N B:ASN10 4.5 31.7 1.0 CA B:ASP11 4.7 30.4 1.0 CB B:ASN9 4.7 33.2 1.0 N B:ASP15 4.8 28.1 1.0 C B:ASN9 4.8 32.2 1.0 CA B:ASN9 4.8 33.0 1.0 CG B:ASP15 4.8 28.4 1.0 N B:GLY12 4.8 30.1 1.0 O B:ASP7 4.8 34.1 1.0 OD2 B:ASP15 4.9 28.0 1.0 C B:ASP11 5.0 30.4 1.0

Calcium binding site 3 out of 4 in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:28.1 occ:1.00 OD1 D:ASP42 2.2 28.4 1.0 OD1 D:ASN40 2.3 32.2 1.0 OD1 D:ASP38 2.3 25.3 1.0 O D:GLU44 2.4 34.9 1.0 O D:HOH1025 2.4 34.4 1.0 OD1 D:ASP49 2.4 32.7 1.0 OD2 D:ASP49 2.6 34.1 1.0 CG D:ASP49 2.8 34.8 1.0 CG D:ASP42 3.2 28.8 1.0 CG D:ASN40 3.4 32.0 1.0 CG D:ASP38 3.4 30.0 1.0 C D:GLU44 3.4 34.4 1.0 OD2 D:ASP42 3.6 27.1 1.0 ND2 D:ASN40 3.9 35.3 1.0 N D:ASP42 4.1 28.7 1.0 CA D:ASP38 4.1 31.3 1.0 CB D:GLU44 4.2 34.9 1.0 CA D:GLU44 4.2 34.5 1.0 CB D:ASP38 4.2 30.9 1.0 N D:GLU44 4.2 33.2 1.0 OD2 D:ASP38 4.2 29.1 1.0 CB D:ASP49 4.3 34.2 1.0 N D:ASN40 4.4 29.9 1.0 CB D:ASP42 4.4 29.2 1.0 N D:VAL45 4.4 34.9 1.0 C D:ASP38 4.4 31.3 1.0 CA D:VAL45 4.5 34.6 1.0 N D:VAL39 4.5 31.1 1.0 OD1 D:ASN46 4.6 35.7 1.0 N D:LEU41 4.6 28.4 1.0 CA D:ASP42 4.6 29.1 1.0 CB D:ASN40 4.6 30.0 1.0 CA D:ASN40 4.8 29.6 1.0 N D:ASP49 4.8 35.1 1.0 N D:ASN46 4.8 35.2 1.0 C D:ASN40 4.8 28.8 1.0 CA D:ASP49 4.9 34.9 1.0 C D:ASP42 4.9 29.6 1.0 O D:ASP38 5.0 31.2 1.0

Calcium binding site 4 out of 4 in the The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca102 b:30.4 occ:1.00 OD1 D:ASP7 2.3 30.7 1.0 OD1 D:ASP11 2.3 32.5 1.0 OD1 D:ASN9 2.4 29.8 1.0 O D:HOH1010 2.4 25.9 1.0 OD2 D:ASP18 2.5 30.0 1.0 O D:ASN13 2.5 31.5 1.0 OD1 D:ASP18 2.5 31.8 1.0 CG D:ASP18 2.8 31.7 1.0 CG D:ASP11 3.2 32.7 1.0 CG D:ASN9 3.4 30.3 1.0 CG D:ASP7 3.5 30.5 1.0 OD2 D:ASP11 3.6 37.6 1.0 C D:ASN13 3.6 30.8 1.0 ND2 D:ASN9 3.8 32.6 1.0 N D:ASP11 4.1 30.1 1.0 CA D:ASP7 4.1 30.9 1.0 N D:ASN13 4.2 29.6 1.0 N D:ASN9 4.2 28.8 1.0 CB D:ASP7 4.3 30.5 1.0 CB D:ASP18 4.3 29.9 1.0 OD2 D:ASP7 4.3 30.7 1.0 CA D:ASN13 4.4 30.7 1.0 C D:ASP7 4.4 29.9 1.0 CB D:ASP11 4.4 31.1 1.0 N D:VAL14 4.5 31.4 1.0 CA D:VAL14 4.5 30.4 1.0 N D:ASN10 4.5 27.6 1.0 N D:TYR8 4.5 30.5 1.0 OD1 D:ASP15 4.5 32.9 1.0 CB D:ASN9 4.6 28.8 1.0 CA D:ASP11 4.6 31.1 1.0 CB D:ASN13 4.6 30.9 1.0 N D:GLY12 4.7 30.7 1.0 CA D:ASN9 4.8 28.1 1.0 N D:ASP15 4.8 30.9 1.0 C D:ASN9 4.8 28.2 1.0 C D:ASP11 4.9 31.4 1.0 OD2 D:ASP15 4.9 31.2 1.0 CG D:ASP15 4.9 29.4 1.0 O D:ASP7 4.9 29.4 1.0 O D:GLY6 5.0 31.3 1.0 N D:ASP18 5.0 29.8 1.0

B.A.Pinheiro, M.R.Proctor, C.Martinez-Fleites, J.A.M.Prates, V.A.Money, G.J.Davies, E.A.Bayer, C.M.G.A.Fontes, H.P.Fierobe, H.J.Gilbert. The Clostridium Cellulolyticum Dockerin Displays A Dual Binding Mode For Its Cohesin Partner. J.Biol.Chem. V. 283 18422 2008.
ISSN: ISSN 0021-9258
PubMed: 18445585
DOI: 10.1074/JBC.M801533200