Calcium in PDB 2l51: Solution Structure of Calcium Bound S100A16

The binding sites of Calcium atom in the Solution Structure of Calcium Bound S100A16 (pdb code 2l51). 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 Bound S100A16, PDB code: 2l51:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution Structure of Calcium Bound S100A16


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 Bound S100A16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca207 b:1.6 occ:1.00 O A:SER27 2.1 3.1 1.0 O A:SER24 2.1 1.9 1.0 O A:TYR26 2.1 3.0 1.0 O A:LYS32 2.1 1.1 1.0 O A:VAL23 2.1 1.2 1.0 O A:LEU28 2.2 2.1 1.0 C A:SER27 3.0 3.5 1.0 O A:TYR22 3.1 1.6 1.0 C A:VAL23 3.1 1.4 1.0 C A:SER24 3.2 1.6 1.0 C A:TYR26 3.2 3.7 1.0 C A:LEU28 3.3 2.8 1.0 C A:LYS32 3.3 1.2 1.0 H A:LYS32 3.4 2.7 1.0 N A:LEU28 3.6 3.9 1.0 HA A:SER24 3.7 2.2 1.0 CA A:SER24 3.8 1.7 1.0 N A:SER24 3.8 1.6 1.0 HA A:VAL23 3.9 1.5 1.0 CA A:LEU28 3.9 3.5 1.0 N A:SER27 3.9 4.3 1.0 HG23 A:ILE33 4.0 3.3 1.0 CA A:SER27 4.0 4.4 1.0 HG21 A:ILE33 4.0 3.8 1.0 HB2 A:LYS32 4.1 3.6 1.0 HA A:VAL29 4.1 3.7 1.0 N A:LYS32 4.1 2.1 1.0 CA A:VAL23 4.1 1.4 1.0 CA A:LYS32 4.1 1.8 1.0 C A:TYR22 4.2 1.4 1.0 N A:LYS25 4.3 2.1 1.0 N A:ILE33 4.3 1.3 1.0 N A:TYR26 4.3 3.6 1.0 N A:VAL29 4.4 3.3 1.0 C A:LYS25 4.4 3.5 1.0 CA A:TYR26 4.4 4.3 1.0 O A:LYS25 4.4 4.1 1.0 HB3 A:LEU28 4.5 4.6 1.0 CG2 A:ILE33 4.5 2.6 1.0 H A:LEU28 4.5 4.8 1.0 HA A:ILE33 4.6 1.1 1.0 N A:VAL23 4.6 1.4 1.0 CB A:LYS32 4.7 2.8 1.0 H A:TYR26 4.7 3.5 1.0 CB A:LEU28 4.7 4.3 1.0 HA A:SER27 4.7 4.9 1.0 H A:SER24 4.7 1.8 1.0 HB3 A:SER27 4.8 5.1 1.0 CA A:VAL29 4.8 3.6 1.0 HA A:LEU28 4.8 4.0 1.0 HB2 A:LEU28 4.8 4.8 1.0 CA A:LYS25 4.9 3.0 1.0 H A:SER27 4.9 5.1 1.0 CA A:ILE33 4.9 1.1 1.0

Calcium binding site 2 out of 4 in the Solution Structure of Calcium Bound S100A16


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 Bound S100A16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca208 b:1.0 occ:1.00 OE2 A:GLU78 1.9 1.3 1.0 OD1 A:ASP67 1.9 1.0 1.0 OD1 A:ASP71 2.0 1.6 1.0 OD2 A:ASP71 2.0 2.0 1.0 OD1 A:ASN69 2.1 1.3 1.0 O A:ARG73 2.1 0.9 1.0 CG A:ASP71 2.4 1.3 1.0 CD A:GLU78 2.9 0.9 1.0 HD22 A:ASN69 3.0 2.2 1.0 OE1 A:GLU78 3.0 1.7 1.0 CG A:ASP67 3.1 1.0 1.0 CG A:ASN69 3.1 1.3 1.0 H A:ARG73 3.3 1.1 1.0 C A:ARG73 3.4 0.9 1.0 ND2 A:ASN69 3.5 1.9 1.0 HA A:ILE74 3.5 0.8 1.0 OD2 A:ASP67 3.7 2.1 1.0 O A:ASN69 3.7 2.0 1.0 H A:ASP71 3.8 1.5 1.0 HA A:ASP67 3.9 1.2 1.0 CB A:ASP71 3.9 1.6 1.0 HD13 A:ILE74 4.1 2.2 1.0 HG A:SER75 4.1 3.2 1.0 N A:ARG73 4.1 1.1 1.0 HB2 A:ARG73 4.1 1.4 1.0 CA A:ARG73 4.2 1.1 1.0 HB3 A:ASP71 4.3 1.7 1.0 CB A:ASP67 4.3 1.6 1.0 H A:GLY72 4.3 1.6 1.0 CG A:GLU78 4.3 0.9 1.0 N A:ILE74 4.3 0.9 1.0 HB3 A:ASP67 4.3 2.4 1.0 CA A:ILE74 4.4 0.8 1.0 HD21 A:ASN69 4.4 2.4 1.0 CB A:ASN69 4.5 1.4 1.0 H A:SER75 4.5 0.9 1.0 HB2 A:ASP71 4.5 1.6 1.0 HG2 A:GLU78 4.6 1.7 1.0 HG3 A:GLU78 4.6 1.6 1.0 N A:ASP71 4.6 1.7 1.0 CA A:ASP67 4.6 1.2 1.0 CB A:ARG73 4.7 1.3 1.0 HG23 A:ILE74 4.7 2.2 1.0 HB2 A:ASN69 4.7 1.6 1.0 C A:ASN69 4.7 1.4 1.0 CA A:ASP71 4.8 1.7 1.0 N A:GLY72 4.8 1.6 1.0 OG A:SER75 4.9 2.2 1.0 HD12 A:ILE74 5.0 1.8 1.0 CD1 A:ILE74 5.0 1.6 1.0

Calcium binding site 3 out of 4 in the Solution Structure of Calcium Bound S100A16


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 Bound S100A16 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca209 b:1.5 occ:1.00 O B:SER130 2.0 3.0 1.0 O B:TYR129 2.1 2.9 1.0 O B:SER127 2.1 1.8 1.0 O B:VAL126 2.1 1.2 1.0 O B:LYS135 2.1 1.2 1.0 O B:LEU131 2.2 2.0 1.0 C B:SER130 3.0 3.5 1.0 O B:TYR125 3.0 1.6 1.0 C B:VAL126 3.1 1.3 1.0 C B:TYR129 3.2 3.7 1.0 C B:SER127 3.2 1.5 1.0 H B:LYS135 3.3 2.8 1.0 C B:LEU131 3.3 2.7 1.0 C B:LYS135 3.3 1.3 1.0 N B:LEU131 3.7 3.8 1.0 N B:SER127 3.8 1.5 1.0 HA B:VAL126 3.9 1.6 1.0 CA B:SER127 3.9 1.5 1.0 HA B:SER127 3.9 2.0 1.0 N B:SER130 3.9 4.3 1.0 CA B:SER130 4.0 4.3 1.0 CA B:LEU131 4.0 3.5 1.0 N B:LYS135 4.0 2.2 1.0 HB2 B:LYS135 4.0 3.7 1.0 CA B:VAL126 4.1 1.5 1.0 HG23 B:ILE136 4.1 3.4 1.0 HG21 B:ILE136 4.1 4.0 1.0 C B:TYR125 4.1 1.5 1.0 HA B:VAL132 4.1 3.6 1.0 CA B:LYS135 4.1 1.9 1.0 N B:TYR129 4.3 3.6 1.0 CA B:TYR129 4.3 4.2 1.0 C B:LYS128 4.4 3.5 1.0 N B:LYS128 4.4 2.1 1.0 N B:ILE136 4.4 1.4 1.0 N B:VAL132 4.4 3.3 1.0 O B:LYS128 4.4 4.1 1.0 HB3 B:LEU131 4.5 4.6 1.0 HA B:ILE136 4.5 1.2 1.0 H B:LEU131 4.6 4.7 1.0 N B:VAL126 4.6 1.4 1.0 H B:TYR129 4.6 3.4 1.0 CG2 B:ILE136 4.6 2.6 1.0 HB2 B:TYR129 4.6 4.7 1.0 CB B:LYS135 4.6 2.9 1.0 HB3 B:SER130 4.6 5.1 1.0 H B:SER127 4.7 1.6 1.0 HA B:SER130 4.7 4.7 1.0 CB B:LEU131 4.7 4.3 1.0 HA B:ASN134 4.8 4.1 1.0 CA B:VAL132 4.9 3.6 1.0 HB2 B:LEU131 4.9 4.7 1.0 HA B:LEU131 4.9 4.0 1.0 H B:SER130 4.9 5.0 1.0 CA B:LYS128 4.9 3.0 1.0 CB B:SER130 4.9 5.1 1.0 CA B:ILE136 5.0 1.1 1.0 HB3 B:LYS135 5.0 3.4 1.0

Calcium binding site 4 out of 4 in the Solution Structure of Calcium Bound S100A16


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 Bound S100A16 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca210 b:1.0 occ:1.00 OE2 B:GLU181 1.9 1.4 1.0 OD1 B:ASP170 1.9 1.0 1.0 OD2 B:ASP174 2.0 1.8 1.0 OD1 B:ASP174 2.1 1.7 1.0 O B:ARG176 2.1 0.9 1.0 OD1 B:ASN172 2.1 1.2 1.0 CG B:ASP174 2.4 1.2 1.0 CD B:GLU181 2.8 0.7 1.0 HD22 B:ASN172 3.0 2.1 1.0 OE1 B:GLU181 3.0 1.6 1.0 CG B:ASP170 3.1 1.3 1.0 CG B:ASN172 3.2 1.3 1.0 C B:ARG176 3.4 0.9 1.0 ND2 B:ASN172 3.5 1.9 1.0 H B:ARG176 3.5 1.4 1.0 OD2 B:ASP170 3.6 2.8 1.0 HA B:ILE177 3.6 0.7 1.0 HB2 B:ARG176 3.9 1.4 1.0 CB B:ASP174 3.9 1.4 1.0 HA B:ASP170 4.0 1.5 1.0 H B:ASP174 4.1 1.4 1.0 N B:ARG176 4.1 1.4 1.0 HD13 B:ILE177 4.2 2.4 1.0 O B:ASN172 4.2 2.2 1.0 HG B:SER178 4.2 3.0 1.0 CA B:ARG176 4.2 1.3 1.0 CG B:GLU181 4.2 0.9 1.0 HB3 B:ASP174 4.3 1.4 1.0 CB B:ASP170 4.3 1.5 1.0 N B:ILE177 4.3 0.8 1.0 HB3 B:ASP170 4.4 2.2 1.0 CA B:ILE177 4.5 0.7 1.0 HG2 B:GLU181 4.5 1.6 1.0 H B:SER178 4.5 0.8 1.0 H B:GLY175 4.5 1.6 1.0 HD21 B:ASN172 4.5 2.5 1.0 CB B:ARG176 4.5 1.4 1.0 HB2 B:ASP174 4.5 1.6 1.0 CB B:ASN172 4.5 1.5 1.0 HG3 B:GLU181 4.6 1.7 1.0 HB2 B:ASN172 4.7 1.6 1.0 CA B:ASP170 4.7 1.5 1.0 HB3 B:ARG176 4.8 1.4 1.0 N B:ASP174 4.8 1.6 1.0 CA B:ASP174 4.8 1.6 1.0 HG23 B:ILE177 4.8 2.1 1.0 N B:GLY175 4.9 1.7 1.0 C B:ASN172 5.0 1.5 1.0 HD12 B:ILE177 5.0 1.6 1.0

E.Babini, I.Bertini, V.Borsi, V.Calderone, X.Hu, C.Luchinat, G.Parigi. Structural Characterization of Human S100A16, A Low-Affinity Calcium Binder. J.Biol.Inorg.Chem. V. 16 243 2011.
ISSN: ISSN 0949-8257
PubMed: 21046186
DOI: 10.1007/S00775-010-0721-3