Calcium in PDB 2kay: Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States

The binding sites of Calcium atom in the Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States (pdb code 2kay). 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 and Dynamics of S100A5 in the CA2+ -Bound States, PDB code: 2kay:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca185 b:1.0 occ:1.00 OD1 A:ASP60 2.0 1.5 1.0 OE1 A:GLU71 2.0 1.8 1.0 OD1 A:ASP64 2.0 2.0 1.0 O A:GLU66 2.1 0.9 1.0 OD2 A:ASP64 2.1 1.7 1.0 OE2 A:GLU71 2.1 1.5 1.0 CG A:ASP64 2.4 1.3 1.0 CD A:GLU71 2.5 0.9 1.0 CG A:ASP60 2.9 1.0 1.0 OD1 A:ASN62 3.0 2.2 1.0 OD2 A:ASP60 3.2 1.3 1.0 C A:GLU66 3.2 0.9 1.0 HA A:ILE67 3.2 0.7 1.0 H A:GLU66 3.4 1.0 1.0 H A:ASP68 3.6 0.7 1.0 H A:LYS61 3.6 1.9 1.0 HD22 A:ASN62 3.7 3.1 1.0 H A:ASP64 3.7 1.3 1.0 HD12 A:ILE67 3.9 1.7 1.0 HA A:ASP60 3.9 0.9 1.0 CB A:ASP64 4.0 1.5 1.0 CG A:GLU71 4.0 0.9 1.0 N A:ILE67 4.0 0.8 1.0 CG A:ASN62 4.0 2.1 1.0 H A:GLN65 4.1 1.5 1.0 CA A:ILE67 4.1 0.7 1.0 N A:GLU66 4.1 1.0 1.0 H A:ASN62 4.2 1.8 1.0 CA A:GLU66 4.2 1.0 1.0 HB2 A:GLU66 4.2 1.6 1.0 CB A:ASP60 4.2 0.9 1.0 ND2 A:ASN62 4.3 2.6 1.0 HB3 A:ASP64 4.4 1.6 1.0 N A:ASP68 4.5 0.7 1.0 HG2 A:GLU71 4.5 1.0 1.0 HG3 A:GLU71 4.5 1.0 1.0 N A:LYS61 4.5 1.3 1.0 HB3 A:ASP68 4.5 1.5 1.0 CA A:ASP60 4.5 0.8 1.0 H A:SER63 4.5 1.6 1.0 HB2 A:ASP64 4.6 1.6 1.0 N A:ASP64 4.6 1.4 1.0 HB2 A:GLU71 4.6 0.7 1.0 HB2 A:ASP60 4.6 1.1 1.0 N A:GLN65 4.6 1.3 1.0 HB3 A:GLU71 4.6 0.8 1.0 CB A:GLU66 4.7 1.1 1.0 CB A:GLU71 4.7 0.8 1.0 CA A:ASP64 4.7 1.5 1.0 HB3 A:GLU66 4.8 1.4 1.0 C A:ILE67 4.8 0.6 1.0 CD1 A:ILE67 4.9 1.0 1.0 HB2 A:LYS61 4.9 2.5 1.0 HG12 A:ILE67 4.9 1.2 1.0 H A:ILE67 5.0 0.8 1.0 HA A:GLN65 5.0 1.5 1.0

Calcium binding site 2 out of 4 in the Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca186 b:0.9 occ:1.00 OE2 A:GLU33 2.0 1.4 1.0 O A:GLU23 2.0 1.1 1.0 O A:SER20 2.0 1.0 1.0 O A:THR28 2.0 0.7 1.0 OE1 A:GLU33 2.1 1.3 1.0 O A:SER25 2.1 1.2 1.0 CD A:GLU33 2.5 0.8 1.0 C A:SER20 3.1 0.9 1.0 H A:GLU23 3.1 1.8 1.0 C A:GLU23 3.1 1.3 1.0 HA A:SER20 3.1 0.8 1.0 C A:THR28 3.3 0.7 1.0 C A:SER25 3.3 1.3 1.0 H A:SER30 3.5 0.7 1.0 HA A:LEU29 3.6 0.7 1.0 CA A:SER20 3.6 0.8 1.0 H A:THR28 3.7 0.8 1.0 OG1 A:THR28 3.7 0.9 1.0 HA A:LYS26 3.8 1.4 1.0 N A:GLU23 3.9 1.3 1.0 OG A:SER20 3.9 1.9 1.0 N A:SER25 4.0 1.6 1.0 N A:GLY24 4.0 1.6 1.0 C A:GLY24 4.0 1.6 1.0 CG A:GLU33 4.0 0.8 1.0 H A:SER25 4.0 2.1 1.0 CA A:GLY24 4.0 1.8 1.0 HG1 A:THR28 4.0 1.0 1.0 CA A:GLU23 4.1 1.4 1.0 N A:GLY21 4.2 0.9 1.0 N A:LYS26 4.2 1.4 1.0 CA A:THR28 4.2 0.7 1.0 N A:LEU29 4.2 0.7 1.0 HA2 A:GLY21 4.2 1.4 1.0 CA A:SER25 4.2 1.5 1.0 N A:THR28 4.2 0.8 1.0 H A:ARG22 4.2 1.1 1.0 HB3 A:GLU23 4.2 2.7 1.0 CA A:LEU29 4.3 0.7 1.0 CA A:LYS26 4.4 1.4 1.0 CB A:SER20 4.4 0.9 1.0 OE1 A:GLU66 4.4 2.6 1.0 HG3 A:GLU33 4.4 1.3 1.0 HG2 A:GLU33 4.5 1.2 1.0 N A:SER30 4.5 0.7 1.0 O A:GLY24 4.5 1.9 1.0 CB A:THR28 4.5 0.8 1.0 HD22 A:LEU29 4.6 2.2 1.0 CA A:GLY21 4.6 1.1 1.0 N A:ARG22 4.6 1.1 1.0 O A:TYR19 4.7 0.8 1.0 HB3 A:SER30 4.7 1.5 1.0 HG A:SER20 4.7 2.5 1.0 C A:LYS26 4.7 1.5 1.0 HB A:THR28 4.7 0.8 1.0 CB A:GLU23 4.8 1.9 1.0 HB3 A:GLU33 4.8 1.0 1.0 HB2 A:GLU33 4.8 1.1 1.0 C A:GLY21 4.8 1.1 1.0 CB A:GLU33 4.8 0.7 1.0 N A:SER20 4.9 0.7 1.0 H A:GLY24 4.9 1.9 1.0 C A:LEU29 4.9 0.7 1.0 OE2 A:GLU66 4.9 1.9 1.0 HA A:GLU23 5.0 1.6 1.0 HA A:SER25 5.0 1.4 1.0 HB3 A:SER25 5.0 2.0 1.0 H A:LEU27 5.0 1.6 1.0 N A:LEU27 5.0 1.1 1.0

Calcium binding site 3 out of 4 in the Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca187 b:0.9 occ:1.00 OD1 B:ASP64 1.9 1.6 1.0 OE1 B:GLU71 2.0 1.8 1.0 OD1 B:ASP60 2.0 1.3 1.0 O B:GLU66 2.0 1.1 1.0 OE2 B:GLU71 2.0 1.7 1.0 OD1 B:ASN62 2.3 1.8 1.0 CD B:GLU71 2.4 1.0 1.0 CG B:ASP64 2.9 1.4 1.0 OD2 B:ASP64 3.1 2.4 1.0 CG B:ASP60 3.2 1.3 1.0 HD22 B:ASN62 3.2 2.3 1.0 CG B:ASN62 3.2 1.5 1.0 C B:GLU66 3.3 1.1 1.0 HA B:ILE67 3.3 0.9 1.0 H B:ASP64 3.4 1.2 1.0 HA B:ASP60 3.4 1.0 1.0 HD11 B:ILE67 3.5 1.9 1.0 H B:ASP68 3.6 0.8 1.0 ND2 B:ASN62 3.6 1.9 1.0 H B:GLU66 3.7 1.2 1.0 H B:GLN65 3.8 1.6 1.0 H B:ASN62 3.8 1.2 1.0 CG B:GLU71 3.9 0.9 1.0 OD2 B:ASP60 4.1 1.7 1.0 N B:ILE67 4.1 1.0 1.0 CB B:ASP60 4.1 1.1 1.0 CA B:ASP60 4.1 1.0 1.0 CA B:ILE67 4.2 0.8 1.0 CB B:ASP64 4.2 1.5 1.0 N B:GLN65 4.2 1.3 1.0 N B:ASP64 4.3 1.2 1.0 N B:GLU66 4.3 1.2 1.0 HG2 B:GLU71 4.3 1.0 1.0 HB2 B:ASP60 4.4 1.1 1.0 CA B:GLU66 4.4 1.3 1.0 H B:SER63 4.4 1.1 1.0 CD1 B:ILE67 4.5 1.2 1.0 HG3 B:GLU71 4.5 1.1 1.0 CB B:ASN62 4.5 1.5 1.0 HD13 B:ILE67 4.5 2.4 1.0 HB3 B:ASP64 4.5 1.6 1.0 N B:ASP68 4.6 0.8 1.0 C B:ASP60 4.6 1.1 1.0 HD21 B:ASN62 4.6 2.2 1.0 HA B:GLN65 4.6 1.7 1.0 CA B:ASP64 4.7 1.4 1.0 HB3 B:ASP68 4.7 1.7 1.0 HB3 B:GLU71 4.7 0.8 1.0 N B:SER63 4.7 1.2 1.0 N B:ASN62 4.7 1.3 1.0 C B:ASP64 4.8 1.5 1.0 CB B:GLU71 4.8 0.8 1.0 HB2 B:GLU71 4.8 0.8 1.0 HB2 B:GLU66 4.8 1.8 1.0 H B:LYS61 4.8 1.3 1.0 HB2 B:ASN62 4.8 2.0 1.0 N B:LYS61 4.9 1.1 1.0 CA B:GLN65 4.9 1.5 1.0 C B:ILE67 4.9 0.7 1.0 CA B:ASN62 4.9 1.4 1.0 C B:ASN62 5.0 1.4 1.0 C B:GLN65 5.0 1.2 1.0

Calcium binding site 4 out of 4 in the Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Solution Structure and Dynamics of S100A5 in the CA2+ -Bound States within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca188 b:1.6 occ:1.00 OE1 B:GLU33 2.0 1.9 1.0 OE2 B:GLU66 2.0 2.8 1.0 O B:SER25 2.0 1.4 1.0 O B:GLU23 2.0 1.5 1.0 O B:THR28 2.1 1.1 1.0 OE2 B:GLU33 2.1 1.5 1.0 CD B:GLU33 2.5 0.9 1.0 O B:SER20 3.0 1.6 1.0 H B:SER30 3.1 0.9 1.0 C B:GLU23 3.2 1.6 1.0 CD B:GLU66 3.2 1.7 1.0 C B:SER25 3.2 1.7 1.0 C B:THR28 3.3 1.0 1.0 H B:GLU23 3.3 1.7 1.0 OG1 B:THR28 3.5 1.0 1.0 HG1 B:THR28 3.5 1.0 1.0 H B:SER25 3.5 3.0 1.0 H B:THR28 3.6 1.4 1.0 HA B:LEU29 3.6 0.9 1.0 N B:SER25 3.7 2.4 1.0 OE1 B:GLU66 3.8 1.7 1.0 HA B:LYS26 3.8 1.9 1.0 C B:GLY24 4.0 1.9 1.0 CG B:GLU33 4.0 0.9 1.0 C B:SER20 4.0 1.3 1.0 HA B:SER20 4.0 1.1 1.0 N B:GLY24 4.1 1.9 1.0 CA B:SER25 4.1 2.3 1.0 N B:SER30 4.1 0.8 1.0 HB3 B:GLU23 4.1 2.4 1.0 N B:GLU23 4.1 1.4 1.0 CA B:GLY24 4.1 2.2 1.0 CA B:GLU23 4.1 1.5 1.0 HB2 B:SER30 4.2 1.6 1.0 N B:LEU29 4.2 1.0 1.0 CA B:THR28 4.2 1.1 1.0 N B:LYS26 4.3 1.8 1.0 CB B:THR28 4.3 0.9 1.0 CA B:LEU29 4.3 0.9 1.0 N B:THR28 4.3 1.2 1.0 HG2 B:GLU66 4.3 2.4 1.0 HB3 B:SER30 4.4 2.0 1.0 HG3 B:GLU33 4.4 1.0 1.0 CG B:GLU66 4.4 1.9 1.0 HB B:THR28 4.4 0.9 1.0 CA B:LYS26 4.5 1.6 1.0 HB3 B:GLU66 4.5 2.2 1.0 HG2 B:GLU33 4.5 1.3 1.0 O B:GLY24 4.6 2.0 1.0 HB2 B:GLU33 4.6 0.9 1.0 CA B:SER20 4.6 1.1 1.0 H B:ARG22 4.7 1.2 1.0 HB2 B:SER25 4.7 3.5 1.0 C B:LEU29 4.7 0.8 1.0 CB B:GLU23 4.7 1.6 1.0 CB B:SER30 4.7 1.2 1.0 CB B:GLU33 4.8 0.8 1.0 HA B:SER25 4.9 2.5 1.0 H B:LEU27 4.9 2.1 1.0 HA2 B:GLY21 4.9 1.6 1.0 HB3 B:GLU33 4.9 1.1 1.0 N B:ARG22 4.9 1.4 1.0 C B:LYS26 4.9 1.5 1.0 N B:GLY21 4.9 1.2 1.0 CB B:SER25 5.0 3.0 1.0

I.Bertini, S.Das Gupta, X.Hu, T.Karavelas, C.Luchinat, G.Parigi, J.Yuan. Solution Structure and Dynamics of S100A5 in the Apo and CA2+-Bound States J.Biol.Inorg.Chem. V. 14 1097 2009.
ISSN: ISSN 0949-8257
PubMed: 19536568
DOI: 10.1007/S00775-009-0553-1