Calcium in PDB 1nbc: Bacterial Type 3A Cellulose-Binding Domain

The structure of Bacterial Type 3A Cellulose-Binding Domain, PDB code: 1nbc was solved by J.Tormo, R.Lamed, T.A.Steitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.570, 50.320, 95.960, 90.00, 99.47, 90.00
R / Rfree (%)	19.3 / 25

The binding sites of Calcium atom in the Bacterial Type 3A Cellulose-Binding Domain (pdb code 1nbc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bacterial Type 3A Cellulose-Binding Domain, PDB code: 1nbc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacterial Type 3A Cellulose-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacterial Type 3A Cellulose-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca156 b:23.6 occ:1.00 OD2 A:ASP46 2.3 29.8 1.0 O A:THR122 2.3 23.7 1.0 OD1 A:ASP126 2.4 23.1 1.0 OG1 A:THR44 2.5 24.0 1.0 O A:THR44 2.5 23.9 1.0 OD1 A:ASN125 2.6 27.4 1.0 O A:HOH278 2.7 23.1 1.0 OD1 A:ASP46 2.9 29.2 1.0 CG A:ASP46 2.9 29.2 1.0 CG A:ASP126 3.4 21.1 1.0 C A:THR122 3.5 22.4 1.0 C A:THR44 3.5 22.2 1.0 CG A:ASN125 3.6 28.6 1.0 CB A:THR44 3.6 19.4 1.0 OD2 A:ASP126 3.7 22.1 1.0 N A:THR122 3.9 21.7 1.0 N A:THR44 3.9 22.0 1.0 CA A:THR44 3.9 21.4 1.0 ND2 A:ASN125 4.1 30.1 1.0 CA A:THR122 4.1 23.5 1.0 CB A:THR122 4.3 24.8 1.0 CB A:ASP46 4.4 27.3 1.0 O A:ASN125 4.4 27.6 1.0 C A:ASN125 4.4 25.6 1.0 N A:GLN123 4.5 21.1 1.0 N A:ASP126 4.6 24.4 1.0 CB A:ASP126 4.7 22.2 1.0 N A:VAL45 4.7 24.2 1.0 CA A:GLN123 4.8 24.2 1.0 N A:ASP46 4.8 27.7 1.0 CB A:ASN125 4.8 26.3 1.0 CG2 A:THR44 4.8 20.6 1.0 N A:ASN125 4.9 26.7 1.0 CA A:ASP126 4.9 22.6 1.0 CA A:ASN125 4.9 25.9 1.0 C A:VAL45 5.0 25.9 1.0

Calcium binding site 2 out of 2 in the Bacterial Type 3A Cellulose-Binding Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacterial Type 3A Cellulose-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca156 b:22.2 occ:1.00 OD2 B:ASP46 2.2 28.2 1.0 O B:THR122 2.3 20.9 1.0 O B:HOH276 2.4 22.2 1.0 OD1 B:ASP126 2.4 23.4 1.0 O B:THR44 2.4 22.8 1.0 OG1 B:THR44 2.5 25.0 1.0 OD1 B:ASN125 2.6 25.2 1.0 OD1 B:ASP46 2.8 28.1 1.0 CG B:ASP46 2.8 28.1 1.0 CG B:ASP126 3.4 20.7 1.0 C B:THR122 3.5 21.1 1.0 C B:THR44 3.5 22.8 1.0 CG B:ASN125 3.6 24.2 1.0 CB B:THR44 3.6 20.7 1.0 OD2 B:ASP126 3.7 21.4 1.0 N B:THR122 3.9 21.8 1.0 N B:THR44 3.9 21.5 1.0 CA B:THR44 3.9 21.8 1.0 ND2 B:ASN125 4.0 23.9 1.0 CA B:THR122 4.1 22.2 1.0 CB B:ASP46 4.3 28.1 1.0 CB B:THR122 4.3 24.7 1.0 O B:ASN125 4.3 26.8 1.0 C B:ASN125 4.4 25.1 1.0 N B:GLN123 4.5 21.7 1.0 N B:VAL45 4.6 23.6 1.0 N B:ASP46 4.7 27.2 1.0 CB B:ASP126 4.7 20.4 1.0 N B:ASP126 4.7 24.5 1.0 CA B:GLN123 4.8 23.8 1.0 CB B:ASN125 4.8 24.6 1.0 C B:VAL45 4.8 27.4 1.0 CG2 B:THR44 4.8 21.8 1.0 N B:ASN125 4.9 24.4 1.0 CA B:ASN125 4.9 24.2 1.0 CA B:ASP126 5.0 20.8 1.0

J.Tormo, R.Lamed, A.J.Chirino, E.Morag, E.A.Bayer, Y.Shoham, T.A.Steitz. Crystal Structure of A Bacterial Family-III Cellulose-Binding Domain: A General Mechanism For Attachment to Cellulose. Embo J. V. 15 5739 1996.
ISSN: ISSN 0261-4189
PubMed: 8918451