Calcium in PDB 2lro: Solution Structure, Dynamics and Binding Studies of CTCBM11

All present enzymatic activity of Solution Structure, Dynamics and Binding Studies of CTCBM11:
3.2.1.4;

The binding sites of Calcium atom in the Solution Structure, Dynamics and Binding Studies of CTCBM11 (pdb code 2lro). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Solution Structure, Dynamics and Binding Studies of CTCBM11, PDB code: 2lro:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Solution Structure, Dynamics and Binding Studies of CTCBM11


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution Structure, Dynamics and Binding Studies of CTCBM11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.0 occ:1.00 OE1 A:GLU101 2.3 0.0 1.0 OE1 A:GLU91 2.3 0.0 1.0 OD2 A:ASP141 2.3 0.0 1.0 OE2 A:GLU91 2.3 0.0 1.0 OG A:SER137 2.4 0.0 1.0 OD1 A:ASP135 2.4 0.0 1.0 OD2 A:ASP135 2.4 0.0 1.0 O A:THR139 2.4 0.0 1.0 HG A:SER137 2.7 0.0 1.0 CD A:GLU91 2.7 0.0 1.0 CG A:ASP135 2.8 0.0 1.0 CD A:GLU101 3.3 0.0 1.0 H A:SER137 3.4 0.0 1.0 CG A:ASP141 3.5 0.0 1.0 H A:ASP141 3.6 0.0 1.0 CB A:SER137 3.6 0.0 1.0 H A:THR139 3.6 0.0 1.0 HE1 A:TRP103 3.6 0.0 1.0 HB2 A:GLU101 3.6 0.0 1.0 HB3 A:SER137 3.7 0.0 1.0 C A:THR139 3.7 0.0 1.0 HB2 A:ASP141 3.9 0.0 1.0 HA A:LEU140 4.0 0.0 1.0 HB3 A:GLU101 4.0 0.0 1.0 OE2 A:GLU101 4.0 0.0 1.0 OG1 A:THR139 4.0 0.0 1.0 N A:SER137 4.2 0.0 1.0 CB A:GLU101 4.2 0.0 1.0 CG A:GLU91 4.3 0.0 1.0 CB A:ASP141 4.3 0.0 1.0 CB A:ASP135 4.3 0.0 1.0 HB2 A:SER137 4.3 0.0 1.0 N A:ASP141 4.4 0.0 1.0 CG A:GLU101 4.4 0.0 1.0 H A:GLY138 4.4 0.0 1.0 CA A:SER137 4.4 0.0 1.0 N A:THR139 4.5 0.0 1.0 HZ2 A:TRP103 4.5 0.0 1.0 OD1 A:ASP141 4.5 0.0 1.0 HB3 A:ASP135 4.5 0.0 1.0 HG1 A:THR139 4.6 0.0 1.0 CA A:THR139 4.6 0.0 1.0 N A:LEU140 4.6 0.0 1.0 NE1 A:TRP103 4.6 0.0 1.0 CA A:LEU140 4.7 0.0 1.0 HG2 A:GLU91 4.7 0.0 1.0 HG3 A:GLU91 4.8 0.0 1.0 HB2 A:ASP135 4.8 0.0 1.0 HB3 A:GLU91 4.8 0.0 1.0 HB2 A:GLU91 4.9 0.0 1.0 CB A:THR139 4.9 0.0 1.0 N A:GLY138 4.9 0.0 1.0 CB A:GLU91 4.9 0.0 1.0 CA A:ASP141 5.0 0.0 1.0

Calcium binding site 2 out of 2 in the Solution Structure, Dynamics and Binding Studies of CTCBM11


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution Structure, Dynamics and Binding Studies of CTCBM11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:0.0 occ:1.00 OD1 A:ASP12 2.3 0.0 1.0 OE2 A:GLU14 2.3 0.0 1.0 OD1 A:ASP163 2.3 0.0 1.0 O A:THR38 2.3 0.0 1.0 O A:ASN40 2.4 0.0 1.0 O A:ASP12 2.4 0.0 1.0 OD2 A:ASP163 2.4 0.0 1.0 OG1 A:THR38 2.6 0.0 1.0 CG A:ASP163 2.8 0.0 1.0 HG1 A:THR38 3.2 0.0 1.0 CG A:ASP12 3.4 0.0 1.0 C A:THR38 3.4 0.0 1.0 CD A:GLU14 3.5 0.0 1.0 C A:ASP12 3.5 0.0 1.0 H A:THR38 3.5 0.0 1.0 C A:ASN40 3.6 0.0 1.0 H A:ASN40 3.7 0.0 1.0 CB A:THR38 3.7 0.0 1.0 H A:ASN164 3.8 0.0 1.0 HA A:ASP12 3.9 0.0 1.0 HG2 A:GLU14 4.0 0.0 1.0 CA A:THR38 4.0 0.0 1.0 HB3 A:ASP12 4.0 0.0 1.0 CB A:ASP12 4.0 0.0 1.0 HB A:THR38 4.0 0.0 1.0 CA A:ASP12 4.1 0.0 1.0 N A:ASN40 4.1 0.0 1.0 N A:THR38 4.2 0.0 1.0 HB2 A:PHE13 4.2 0.0 1.0 HA2 A:GLY41 4.3 0.0 1.0 CB A:ASP163 4.3 0.0 1.0 OD2 A:ASP12 4.3 0.0 1.0 OE1 A:GLU14 4.3 0.0 1.0 CG A:GLU14 4.4 0.0 1.0 OD1 A:ASN164 4.4 0.0 1.0 CA A:ASN40 4.4 0.0 1.0 HA3 A:GLY36 4.5 0.0 1.0 N A:GLY39 4.5 0.0 1.0 HD2 A:PHE13 4.5 0.0 1.0 HA3 A:GLY39 4.6 0.0 1.0 N A:GLY41 4.6 0.0 1.0 N A:PHE13 4.6 0.0 1.0 C A:GLY39 4.7 0.0 1.0 HB2 A:ASP163 4.7 0.0 1.0 HA A:ASP163 4.8 0.0 1.0 N A:ASN164 4.8 0.0 1.0 CA A:GLY39 4.8 0.0 1.0 HB3 A:ASP163 4.8 0.0 1.0 HB2 A:ASN40 4.9 0.0 1.0 HG3 A:GLU14 4.9 0.0 1.0 CA A:GLY41 4.9 0.0 1.0 CG2 A:THR38 5.0 0.0 1.0 H A:GLU14 5.0 0.0 1.0

A.Viegas, J.Sardinha, F.Freire, D.F.Duarte, A.L.Carvalho, C.M.Fontes, M.J.Romao, A.L.Macedo, E.J.Cabrita. Solution Structure, Dynamics and Binding Studies of A Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum (CTCBM11). Biochem.J. V. 451 289 2013.
ISSN: ISSN 0264-6021
PubMed: 23356867
DOI: 10.1042/BJ20120627