Calcium in PDB 1yuu: Solution Structure of Calcium-S100A13

The binding sites of Calcium atom in the Solution Structure of Calcium-S100A13 (pdb code 1yuu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Solution Structure of Calcium-S100A13, PDB code: 1yuu:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution Structure of Calcium-S100A13


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 Calcium-S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca197 b:0.8 occ:1.00 OE1 A:GLU37 2.3 1.5 1.0 O A:ALA24 2.3 0.8 1.0 OE2 A:GLU37 2.3 1.9 1.0 O A:SER32 2.3 0.9 1.0 O A:GLU27 2.3 1.7 1.0 O A:GLY28 2.4 1.3 1.0 CD A:GLU37 2.7 0.8 1.0 O A:ARG29 3.0 1.1 1.0 HA A:ALA24 3.3 0.8 1.0 C A:GLY28 3.3 1.2 1.0 C A:ALA24 3.3 0.7 1.0 C A:GLU27 3.3 1.1 1.0 H A:GLU27 3.4 0.9 1.0 H A:SER34 3.5 1.1 1.0 C A:SER32 3.6 0.9 1.0 HB2 A:GLU27 3.6 1.3 1.0 HA A:LEU33 3.7 0.9 1.0 C A:ARG29 3.8 1.2 1.0 CA A:ALA24 3.8 0.7 1.0 OG A:SER34 3.8 3.0 1.0 H A:SER32 3.8 1.3 1.0 N A:GLY28 4.0 1.1 1.0 N A:ARG29 4.1 1.2 1.0 N A:GLU27 4.1 1.0 1.0 HB3 A:ALA24 4.1 1.6 1.0 CA A:GLY28 4.2 1.3 1.0 CA A:GLU27 4.2 1.1 1.0 CG A:GLU37 4.2 0.8 1.0 N A:SER34 4.2 0.9 1.0 H A:ASP31 4.3 1.5 1.0 HG A:SER34 4.4 3.3 1.0 CB A:GLU27 4.4 1.1 1.0 N A:LEU33 4.4 0.9 1.0 N A:ARG25 4.4 0.8 1.0 CA A:ARG29 4.4 1.3 1.0 CA A:LEU33 4.4 0.8 1.0 HA3 A:GLY28 4.5 1.6 1.0 HA A:LYS30 4.5 1.4 1.0 HA A:ARG25 4.5 0.9 1.0 HB2 A:SER34 4.5 1.9 1.0 HB3 A:SER32 4.5 1.8 1.0 N A:SER32 4.6 1.0 1.0 CA A:SER32 4.6 1.1 1.0 CB A:ALA24 4.6 0.7 1.0 HB2 A:ARG29 4.6 1.6 1.0 O A:PHE23 4.6 1.6 1.0 HG3 A:GLU37 4.6 0.8 1.0 N A:LYS30 4.6 1.3 1.0 C A:LEU33 4.7 0.8 1.0 CB A:SER34 4.7 1.4 1.0 HG2 A:GLU37 4.7 0.8 1.0 C A:ARG25 4.8 0.9 1.0 CA A:ARG25 4.8 0.9 1.0 HB2 A:GLU37 4.8 1.1 1.0 HB3 A:GLU27 4.9 1.3 1.0 H A:ARG29 4.9 1.4 1.0 H A:GLY28 4.9 1.5 1.0 N A:GLN26 4.9 0.9 1.0 HB3 A:GLU37 5.0 1.1 1.0 HD22 A:LEU33 5.0 2.3 1.0 HD11 A:LEU33 5.0 2.5 1.0 CB A:GLU37 5.0 0.9 1.0 N A:ALA24 5.0 0.7 1.0 H A:GLN26 5.0 0.9 1.0

Calcium binding site 2 out of 4 in the Solution Structure of Calcium-S100A13


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 Calcium-S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca198 b:1.2 occ:1.00 OD1 A:ASP64 2.2 1.9 1.0 OD1 A:ASP68 2.3 1.3 1.0 OD2 A:ASP68 2.3 1.4 1.0 OE1 A:GLU75 2.3 2.0 1.0 OE2 A:GLU75 2.3 1.9 1.0 O A:GLU70 2.3 1.2 1.0 OD1 A:ASN66 2.5 1.2 1.0 CG A:ASP68 2.7 1.3 1.0 CD A:GLU75 2.7 1.1 1.0 HD22 A:ASN66 3.0 3.1 1.0 CG A:ASP64 3.2 1.3 1.0 CG A:ASN66 3.3 1.4 1.0 H A:GLU70 3.4 1.3 1.0 C A:GLU70 3.5 1.1 1.0 ND2 A:ASN66 3.5 2.5 1.0 OD2 A:ASP64 3.5 1.6 1.0 H A:LYS72 3.6 1.0 1.0 HA A:LEU71 3.6 0.8 1.0 H A:ASP68 3.8 1.3 1.0 HA A:ASP64 3.9 1.0 1.0 CB A:ASP68 4.1 1.4 1.0 CG A:GLU75 4.2 1.0 1.0 HB2 A:GLU70 4.2 1.6 1.0 H A:SER69 4.2 1.4 1.0 N A:GLU70 4.3 1.3 1.0 N A:LEU71 4.4 0.9 1.0 CA A:GLU70 4.4 1.3 1.0 HD23 A:LEU71 4.4 2.4 1.0 HB3 A:GLU70 4.4 1.6 1.0 CA A:LEU71 4.4 0.8 1.0 HB2 A:LYS72 4.4 1.8 1.0 H A:ASN66 4.4 1.2 1.0 HB3 A:ASP68 4.5 1.4 1.0 HD21 A:ASN66 4.5 3.1 1.0 CB A:ASP64 4.5 1.0 1.0 N A:LYS72 4.5 0.9 1.0 CB A:GLU70 4.6 1.5 1.0 HB2 A:GLU75 4.6 0.9 1.0 N A:ASP68 4.6 1.3 1.0 HG2 A:GLU75 4.6 1.3 1.0 HB3 A:GLU75 4.6 1.1 1.0 CA A:ASP64 4.6 1.0 1.0 CB A:ASN66 4.7 1.3 1.0 N A:SER69 4.7 1.3 1.0 HG3 A:GLU75 4.7 1.2 1.0 CB A:GLU75 4.8 0.8 1.0 HB2 A:ASP68 4.8 1.5 1.0 CA A:ASP68 4.8 1.4 1.0 H A:GLN67 4.8 1.1 1.0 HB2 A:ASP64 4.9 1.1 1.0 HB2 A:ASN66 4.9 1.6 1.0 HD13 A:LEU71 4.9 1.6 1.0 C A:LEU71 5.0 0.8 1.0

Calcium binding site 3 out of 4 in the Solution Structure of Calcium-S100A13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Solution Structure of Calcium-S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca199 b:0.9 occ:1.00 OE1 B:GLU37 2.3 1.4 1.0 OE2 B:GLU37 2.3 1.6 1.0 O B:GLY28 2.3 1.4 1.0 O B:SER32 2.3 1.0 1.0 O B:ALA24 2.3 1.0 1.0 O B:ARG29 2.4 1.1 1.0 CD B:GLU37 2.7 0.8 1.0 HB2 B:ARG29 2.9 2.7 1.0 HA B:LEU33 3.2 1.0 1.0 HA B:ALA24 3.3 1.1 1.0 C B:ARG29 3.4 1.3 1.0 C B:ALA24 3.4 1.0 1.0 H B:GLU27 3.4 1.5 1.0 HB2 B:GLU27 3.4 2.3 1.0 C B:GLY28 3.4 1.6 1.0 C B:SER32 3.5 0.9 1.0 H B:SER34 3.6 1.5 1.0 HB3 B:ARG29 3.6 1.9 1.0 CB B:ARG29 3.6 2.0 1.0 CA B:ARG29 3.9 1.5 1.0 CA B:ALA24 3.9 1.0 1.0 H B:ASP31 4.0 1.6 1.0 N B:ARG29 4.1 1.4 1.0 CA B:LEU33 4.1 0.9 1.0 CG B:GLU37 4.1 0.8 1.0 N B:LEU33 4.2 1.0 1.0 HA B:LYS30 4.3 1.3 1.0 N B:GLU27 4.3 1.7 1.0 H B:SER32 4.4 1.2 1.0 HG B:LEU33 4.4 2.3 1.0 N B:SER34 4.4 1.1 1.0 HB2 B:ALA24 4.4 1.7 1.0 O B:PHE23 4.4 1.1 1.0 HA2 B:GLY28 4.4 4.0 1.0 H B:GLN26 4.4 1.1 1.0 N B:LYS30 4.4 1.4 1.0 CB B:GLU27 4.4 2.0 1.0 HG2 B:GLU37 4.4 0.9 1.0 OG B:SER34 4.5 2.4 1.0 HG B:SER34 4.5 3.4 1.0 N B:ARG25 4.6 1.1 1.0 CA B:GLY28 4.6 3.1 1.0 N B:SER32 4.6 1.1 1.0 N B:GLN26 4.6 1.3 1.0 HB3 B:GLU37 4.6 1.3 1.0 CA B:SER32 4.7 1.0 1.0 HG3 B:GLU27 4.7 1.8 1.0 C B:LEU33 4.7 1.0 1.0 HB3 B:GLN26 4.7 1.3 1.0 HG3 B:GLU37 4.8 0.9 1.0 CB B:ALA24 4.8 1.0 1.0 HA B:ARG25 4.8 1.4 1.0 C B:ARG25 4.9 1.4 1.0 HB2 B:GLU37 4.9 1.2 1.0 CB B:GLU37 4.9 0.9 1.0 CA B:LYS30 4.9 1.4 1.0 HA B:ARG29 4.9 2.1 1.0 HD11 B:LEU33 4.9 3.2 1.0 CA B:GLU27 4.9 1.7 1.0 HB2 B:SER32 5.0 1.4 1.0 N B:ALA24 5.0 0.9 1.0

Calcium binding site 4 out of 4 in the Solution Structure of Calcium-S100A13


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Solution Structure of Calcium-S100A13 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca200 b:0.9 occ:1.00 OD1 B:ASP64 2.2 1.1 1.0 OE1 B:GLU75 2.3 1.5 1.0 OD1 B:ASP68 2.3 1.7 1.0 OE2 B:GLU75 2.3 1.9 1.0 O B:GLU70 2.3 1.1 1.0 OD2 B:ASP68 2.3 2.3 1.0 O B:ASP68 2.4 3.3 1.0 CG B:ASP68 2.6 1.6 1.0 CD B:GLU75 2.7 1.0 1.0 H B:GLU70 3.1 1.4 1.0 CG B:ASP64 3.3 1.0 1.0 O B:ASP64 3.3 1.1 1.0 HB2 B:ASN66 3.3 3.3 1.0 C B:GLU70 3.5 1.1 1.0 C B:ASP68 3.5 1.7 1.0 HA B:ASP64 3.5 0.8 1.0 H B:LYS72 3.6 1.1 1.0 HA B:LEU71 3.7 1.0 1.0 CB B:ASP68 3.8 1.9 1.0 OD2 B:ASP64 3.9 1.6 1.0 H B:ASP68 3.9 2.9 1.0 HB2 B:GLU70 3.9 1.3 1.0 H B:ASN66 3.9 1.3 1.0 N B:GLU70 4.0 1.1 1.0 C B:ASP64 4.0 1.0 1.0 H B:GLN67 4.0 1.4 1.0 HB2 B:LYS72 4.0 2.1 1.0 CA B:ASP68 4.1 1.9 1.0 N B:ASP68 4.2 2.2 1.0 CA B:ASP64 4.2 0.8 1.0 CG B:GLU75 4.2 0.9 1.0 HB2 B:ASP68 4.3 2.1 1.0 CA B:GLU70 4.3 1.2 1.0 CB B:ASP64 4.3 0.9 1.0 N B:GLN67 4.3 1.9 1.0 CB B:ASN66 4.3 2.2 1.0 HD22 B:LEU71 4.4 1.6 1.0 N B:LEU71 4.4 1.1 1.0 N B:LYS72 4.5 1.1 1.0 CA B:LEU71 4.5 1.0 1.0 C B:ASN66 4.5 2.3 1.0 N B:SER69 4.6 1.6 1.0 CB B:GLU70 4.6 1.3 1.0 HB2 B:GLU75 4.6 0.8 1.0 N B:ASN66 4.6 1.5 1.0 HD11 B:LEU71 4.6 1.4 1.0 HG3 B:GLU75 4.6 1.1 1.0 HG2 B:GLU75 4.7 1.1 1.0 HB3 B:ASP68 4.7 2.2 1.0 CA B:ASN66 4.7 2.0 1.0 HA B:SER69 4.7 1.6 1.0 HB3 B:ASN66 4.7 2.5 1.0 C B:GLN67 4.8 1.9 1.0 HB3 B:LYS72 4.8 1.8 1.0 HB2 B:ASP64 4.9 0.8 1.0 CB B:GLU75 4.9 0.8 1.0 CB B:LYS72 4.9 1.3 1.0 HB3 B:GLU75 4.9 0.9 1.0 C B:SER69 5.0 1.2 1.0

F.Arnesano, L.Banci, I.Bertini, A.Fantoni, L.Tenori, M.S.Viezzoli. Structural Interplay Between Calcium(II) and Copper(II) Binding to S100A13 Protein Angew.Chem.Int.Ed.Engl. V. 44 6341 2005.
ISSN: ISSN 1433-7851
PubMed: 16145699
DOI: 10.1002/ANIE.200500540