Calcium in PDB 2mte: Solution Structure of DOC48S

All present enzymatic activity of Solution Structure of DOC48S:
3.2.1.176;

The binding sites of Calcium atom in the Solution Structure of DOC48S (pdb code 2mte). 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 of DOC48S, PDB code: 2mte:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Solution Structure of DOC48S


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution Structure of DOC48S within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:0.0 occ:1.00 HD22 A:ASN9 1.9 0.0 1.0 O A:LYS13 2.2 0.0 1.0 OD1 A:ASP7 2.2 0.0 1.0 OD1 A:ASP18 2.3 0.0 1.0 OD1 A:ASN9 2.4 0.0 1.0 OD2 A:ASP18 2.4 0.0 1.0 ND2 A:ASN9 2.6 0.0 1.0 OD1 A:ASP11 2.6 0.0 1.0 OD2 A:ASP11 2.7 0.0 1.0 CG A:ASP18 2.7 0.0 1.0 CG A:ASN9 2.8 0.0 1.0 CG A:ASP11 2.8 0.0 1.0 H A:ASN15 2.9 0.0 1.0 HA A:ASP7 3.2 0.0 1.0 CG A:ASP7 3.4 0.0 1.0 HA A:VAL14 3.4 0.0 1.0 C A:LYS13 3.4 0.0 1.0 HD21 A:ASN9 3.5 0.0 1.0 H A:LYS13 3.6 0.0 1.0 H A:ASP11 3.6 0.0 1.0 H A:ASN9 3.7 0.0 1.0 N A:ASN15 3.8 0.0 1.0 HB2 A:ASN15 4.0 0.0 1.0 CA A:ASP7 4.1 0.0 1.0 CB A:ASP11 4.1 0.0 1.0 CB A:ASP18 4.2 0.0 1.0 CA A:VAL14 4.2 0.0 1.0 CB A:ASP7 4.2 0.0 1.0 HB3 A:ASP11 4.2 0.0 1.0 H A:VAL8 4.2 0.0 1.0 HB3 A:ASN15 4.3 0.0 1.0 N A:VAL14 4.3 0.0 1.0 CB A:ASN9 4.3 0.0 1.0 OD2 A:ASP7 4.3 0.0 1.0 N A:LYS13 4.3 0.0 1.0 HB2 A:ASP7 4.4 0.0 1.0 N A:ASP11 4.4 0.0 1.0 H A:ASP10 4.4 0.0 1.0 CA A:LYS13 4.5 0.0 1.0 H A:GLY12 4.5 0.0 1.0 HB3 A:LYS13 4.5 0.0 1.0 C A:VAL14 4.5 0.0 1.0 N A:ASN9 4.5 0.0 1.0 CB A:ASN15 4.5 0.0 1.0 HB2 A:ASP18 4.6 0.0 1.0 HB3 A:ASP18 4.6 0.0 1.0 HB3 A:ASN9 4.7 0.0 1.0 N A:VAL8 4.7 0.0 1.0 H A:ASP18 4.7 0.0 1.0 C A:ASP7 4.7 0.0 1.0 CA A:ASN15 4.8 0.0 1.0 CA A:ASP11 4.8 0.0 1.0 N A:ASP10 4.8 0.0 1.0 CA A:ASN9 4.9 0.0 1.0 HB2 A:ASN9 4.9 0.0 1.0 HB2 A:ASP11 4.9 0.0 1.0 HA A:ASP18 5.0 0.0 1.0 N A:GLY12 5.0 0.0 1.0

Calcium binding site 2 out of 2 in the Solution Structure of DOC48S


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution Structure of DOC48S within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:0.0 occ:1.00 OD1 A:ASP43 2.2 0.0 1.0 OD1 A:ASP50 2.2 0.0 1.0 OD2 A:ASP50 2.2 0.0 1.0 OD1 A:ASP39 2.2 0.0 1.0 CG A:ASP50 2.5 0.0 1.0 CG A:ASP43 2.5 0.0 1.0 OD2 A:ASP43 2.5 0.0 1.0 OD1 A:ASN41 2.6 0.0 1.0 O A:ARG45 2.6 0.0 1.0 HA A:ASP39 2.8 0.0 1.0 CG A:ASP39 2.9 0.0 1.0 H A:ASP43 2.9 0.0 1.0 HA A:VAL46 3.4 0.0 1.0 H A:ARG45 3.5 0.0 1.0 OD2 A:ASP39 3.6 0.0 1.0 HD22 A:ASN41 3.6 0.0 1.0 C A:ARG45 3.6 0.0 1.0 CG A:ASN41 3.6 0.0 1.0 H A:ASN47 3.6 0.0 1.0 CA A:ASP39 3.7 0.0 1.0 H A:ASN41 3.7 0.0 1.0 CB A:ASP39 3.8 0.0 1.0 CB A:ASP43 3.8 0.0 1.0 N A:ASP43 3.8 0.0 1.0 H A:GLY44 3.9 0.0 1.0 H A:GLU42 3.9 0.0 1.0 HB3 A:ASP43 3.9 0.0 1.0 H A:LEU40 4.0 0.0 1.0 CB A:ASP50 4.0 0.0 1.0 HB2 A:ASP39 4.0 0.0 1.0 ND2 A:ASN41 4.0 0.0 1.0 OD1 A:ASN47 4.1 0.0 1.0 N A:ARG45 4.2 0.0 1.0 HD22 A:ASN47 4.2 0.0 1.0 CA A:ASP43 4.3 0.0 1.0 CA A:VAL46 4.3 0.0 1.0 N A:VAL46 4.3 0.0 1.0 HB3 A:ASP50 4.4 0.0 1.0 N A:GLU42 4.4 0.0 1.0 HB2 A:ASP50 4.4 0.0 1.0 N A:GLY44 4.5 0.0 1.0 C A:ASP39 4.5 0.0 1.0 N A:LEU40 4.5 0.0 1.0 CA A:ARG45 4.5 0.0 1.0 N A:ASN47 4.6 0.0 1.0 H A:ASP50 4.6 0.0 1.0 HB2 A:ASP43 4.6 0.0 1.0 N A:ASN41 4.6 0.0 1.0 CG A:ASN47 4.6 0.0 1.0 HG22 A:VAL46 4.6 0.0 1.0 ND2 A:ASN47 4.6 0.0 1.0 HB3 A:ASP39 4.7 0.0 1.0 C A:ASP43 4.8 0.0 1.0 HA A:GLU42 4.8 0.0 1.0 N A:ASP39 4.8 0.0 1.0 C A:GLU42 4.8 0.0 1.0 HA A:ASP50 4.8 0.0 1.0 CB A:ASN41 4.9 0.0 1.0 CA A:ASP50 4.9 0.0 1.0 HB A:THR49 4.9 0.0 1.0 CA A:GLU42 4.9 0.0 1.0 HD21 A:ASN41 5.0 0.0 1.0

C.Chen, Z.Cui, Y.Xiao, Q.Cui, S.P.Smith, R.Lamed, E.A.Bayer, Y.Feng. Revisiting the uc(Nmr) Solution Structure of the CEL48S Type-I Dockerin Module From Clostridium Thermocellum Reveals A Cohesin-Primed Conformation. J.Struct.Biol. 2014.
ISSN: ESSN 1095-8657
PubMed: 25270376
DOI: 10.1016/J.JSB.2014.09.006