Calcium in PDB 1zfs: Solution Structure of S100A1 Bound to Calcium

The binding sites of Calcium atom in the Solution Structure of S100A1 Bound to Calcium (pdb code 1zfs). 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 S100A1 Bound to Calcium, PDB code: 1zfs:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution Structure of S100A1 Bound to Calcium


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 S100A1 Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:0.0 occ:1.00 HA B:VAL69 2.5 0.0 1.0 OE1 B:GLU73 2.8 0.0 1.0 HA B:ASP62 2.8 0.0 1.0 O B:GLU68 2.9 0.0 1.0 OD1 B:ASP62 2.9 0.0 1.0 OE2 B:GLU73 2.9 0.0 1.0 OD2 B:ASP66 3.0 0.0 1.0 CD B:GLU73 3.1 0.0 1.0 O B:LEU61 3.3 0.0 1.0 H B:ASP70 3.4 0.0 1.0 CA B:VAL69 3.5 0.0 1.0 OD1 B:ASP66 3.6 0.0 1.0 CG B:ASP66 3.6 0.0 1.0 HG11 B:VAL69 3.6 0.0 1.0 CA B:ASP62 3.8 0.0 1.0 C B:LEU61 3.9 0.0 1.0 C B:GLU68 3.9 0.0 1.0 HG21 B:VAL69 3.9 0.0 1.0 CG B:ASP62 4.0 0.0 1.0 N B:ASP70 4.0 0.0 1.0 HB3 B:LEU61 4.0 0.0 1.0 N B:ASP62 4.1 0.0 1.0 HD21 B:ASN64 4.1 0.0 1.0 N B:VAL69 4.2 0.0 1.0 C B:VAL69 4.2 0.0 1.0 CB B:VAL69 4.4 0.0 1.0 CG1 B:VAL69 4.4 0.0 1.0 HB2 B:ASN64 4.4 0.0 1.0 CB B:ASP62 4.5 0.0 1.0 CG B:GLU73 4.6 0.0 1.0 CG2 B:VAL69 4.6 0.0 1.0 HB2 B:GLU73 4.6 0.0 1.0 HG12 B:VAL69 4.7 0.0 1.0 CG B:ASP70 4.7 0.0 1.0 OD2 B:ASP70 4.7 0.0 1.0 H B:ASN64 4.8 0.0 1.0 HB2 B:ASP70 4.8 0.0 1.0 H B:ASP62 4.8 0.0 1.0 HG3 B:GLU73 4.8 0.0 1.0 HB3 B:ASP62 4.8 0.0 1.0 H B:GLU63 4.8 0.0 1.0 OD1 B:ASP70 4.9 0.0 1.0 C B:ASP62 4.9 0.0 1.0 HG23 B:VAL69 4.9 0.0 1.0 CA B:LEU61 4.9 0.0 1.0 H B:GLU68 4.9 0.0 1.0 CB B:LEU61 4.9 0.0 1.0 OD2 B:ASP62 5.0 0.0 1.0

Calcium binding site 2 out of 4 in the Solution Structure of S100A1 Bound to Calcium


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 S100A1 Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:0.0 occ:1.00 OG B:SER19 1.9 0.0 1.0 O B:ASP24 2.4 0.0 1.0 HG B:SER19 2.4 0.0 1.0 HA B:LEU28 2.6 0.0 1.0 OE2 B:GLU32 2.6 0.0 1.0 O B:LYS27 2.7 0.0 1.0 O B:SER19 2.7 0.0 1.0 HA B:SER19 2.9 0.0 1.0 OE1 B:GLU32 3.0 0.0 1.0 CB B:SER19 3.0 0.0 1.0 CD B:GLU32 3.1 0.0 1.0 CA B:SER19 3.2 0.0 1.0 C B:SER19 3.2 0.0 1.0 HA B:LYS25 3.3 0.0 1.0 HD13 B:LEU28 3.3 0.0 1.0 C B:ASP24 3.5 0.0 1.0 C B:LYS27 3.5 0.0 1.0 CA B:LEU28 3.6 0.0 1.0 HB3 B:ASP24 3.6 0.0 1.0 HB2 B:SER19 3.6 0.0 1.0 HD12 B:LEU28 3.7 0.0 1.0 HB3 B:SER19 3.7 0.0 1.0 N B:LEU28 3.9 0.0 1.0 CD1 B:LEU28 4.0 0.0 1.0 H B:LYS27 4.0 0.0 1.0 CA B:LYS25 4.1 0.0 1.0 N B:LYS25 4.2 0.0 1.0 N B:GLY20 4.3 0.0 1.0 H B:SER29 4.4 0.0 1.0 CB B:ASP24 4.4 0.0 1.0 C B:LEU28 4.4 0.0 1.0 CG B:GLU32 4.5 0.0 1.0 C B:LYS25 4.5 0.0 1.0 HB2 B:LEU28 4.5 0.0 1.0 N B:LYS27 4.5 0.0 1.0 CA B:ASP24 4.5 0.0 1.0 HA2 B:GLY20 4.5 0.0 1.0 CB B:LEU28 4.6 0.0 1.0 HB2 B:GLU22 4.6 0.0 1.0 N B:SER19 4.7 0.0 1.0 HB3 B:GLU32 4.7 0.0 1.0 CA B:LYS27 4.7 0.0 1.0 N B:SER29 4.7 0.0 1.0 OD1 B:ASP24 4.7 0.0 1.0 HG2 B:GLU32 4.7 0.0 1.0 CG B:ASP24 4.8 0.0 1.0 O B:LYS25 4.8 0.0 1.0 H B:LEU28 4.8 0.0 1.0 HD11 B:LEU28 4.8 0.0 1.0 CG B:LEU28 4.9 0.0 1.0 H B:GLY20 4.9 0.0 1.0 HB2 B:GLU32 4.9 0.0 1.0 CB B:GLU32 5.0 0.0 1.0

Calcium binding site 3 out of 4 in the Solution Structure of S100A1 Bound to Calcium


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 S100A1 Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:0.0 occ:1.00 HA A:VAL69 2.5 0.0 1.0 OE1 A:GLU73 2.8 0.0 1.0 HA A:ASP62 2.8 0.0 1.0 O A:GLU68 2.9 0.0 1.0 OD1 A:ASP62 2.9 0.0 1.0 OE2 A:GLU73 2.9 0.0 1.0 OD2 A:ASP66 3.0 0.0 1.0 CD A:GLU73 3.1 0.0 1.0 O A:LEU61 3.3 0.0 1.0 H A:ASP70 3.3 0.0 1.0 CA A:VAL69 3.5 0.0 1.0 OD1 A:ASP66 3.6 0.0 1.0 HG13 A:VAL69 3.6 0.0 1.0 CG A:ASP66 3.6 0.0 1.0 CA A:ASP62 3.8 0.0 1.0 C A:LEU61 3.9 0.0 1.0 C A:GLU68 3.9 0.0 1.0 HG23 A:VAL69 3.9 0.0 1.0 CG A:ASP62 4.0 0.0 1.0 N A:ASP70 4.0 0.0 1.0 HB3 A:LEU61 4.0 0.0 1.0 N A:ASP62 4.1 0.0 1.0 HD21 A:ASN64 4.1 0.0 1.0 N A:VAL69 4.2 0.0 1.0 C A:VAL69 4.2 0.0 1.0 CG1 A:VAL69 4.4 0.0 1.0 CB A:VAL69 4.4 0.0 1.0 HB2 A:ASN64 4.5 0.0 1.0 CB A:ASP62 4.5 0.0 1.0 CG A:GLU73 4.5 0.0 1.0 CG2 A:VAL69 4.6 0.0 1.0 HB2 A:GLU73 4.6 0.0 1.0 HG11 A:VAL69 4.7 0.0 1.0 CG A:ASP70 4.7 0.0 1.0 OD2 A:ASP70 4.7 0.0 1.0 HB2 A:ASP70 4.8 0.0 1.0 HG3 A:GLU73 4.8 0.0 1.0 H A:ASP62 4.8 0.0 1.0 H A:ASN64 4.8 0.0 1.0 HG22 A:VAL69 4.8 0.0 1.0 HB3 A:ASP62 4.8 0.0 1.0 H A:GLU63 4.9 0.0 1.0 OD1 A:ASP70 4.9 0.0 1.0 C A:ASP62 4.9 0.0 1.0 CA A:LEU61 4.9 0.0 1.0 CB A:LEU61 4.9 0.0 1.0 H A:GLU68 4.9 0.0 1.0 OD2 A:ASP62 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the Solution Structure of S100A1 Bound to Calcium


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 S100A1 Bound to Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca104 b:0.0 occ:1.00 OG A:SER19 1.9 0.0 1.0 O A:ASP24 2.3 0.0 1.0 HG A:SER19 2.4 0.0 1.0 OE2 A:GLU32 2.4 0.0 1.0 O A:SER19 2.6 0.0 1.0 HA A:LEU28 2.7 0.0 1.0 HA A:SER19 2.8 0.0 1.0 O A:LYS27 2.8 0.0 1.0 OE1 A:GLU32 2.9 0.0 1.0 CD A:GLU32 3.0 0.0 1.0 CB A:SER19 3.0 0.0 1.0 C A:SER19 3.1 0.0 1.0 CA A:SER19 3.1 0.0 1.0 HA A:LYS25 3.3 0.0 1.0 HD13 A:LEU28 3.4 0.0 1.0 C A:ASP24 3.4 0.0 1.0 HB3 A:ASP24 3.5 0.0 1.0 HB2 A:SER19 3.7 0.0 1.0 C A:LYS27 3.7 0.0 1.0 HB3 A:SER19 3.7 0.0 1.0 CA A:LEU28 3.7 0.0 1.0 HD12 A:LEU28 3.8 0.0 1.0 CA A:LYS25 4.1 0.0 1.0 CD1 A:LEU28 4.1 0.0 1.0 N A:LEU28 4.1 0.0 1.0 H A:LYS27 4.1 0.0 1.0 N A:LYS25 4.2 0.0 1.0 N A:GLY20 4.2 0.0 1.0 CB A:ASP24 4.3 0.0 1.0 HB2 A:GLU22 4.4 0.0 1.0 CG A:GLU32 4.4 0.0 1.0 HA2 A:GLY20 4.4 0.0 1.0 H A:SER29 4.4 0.0 1.0 CA A:ASP24 4.4 0.0 1.0 C A:LYS25 4.5 0.0 1.0 C A:LEU28 4.5 0.0 1.0 N A:SER19 4.6 0.0 1.0 HG2 A:GLU32 4.6 0.0 1.0 HB3 A:GLU32 4.6 0.0 1.0 N A:LYS27 4.7 0.0 1.0 HB2 A:LEU28 4.7 0.0 1.0 CB A:LEU28 4.7 0.0 1.0 CG A:ASP24 4.7 0.0 1.0 OD1 A:ASP24 4.7 0.0 1.0 N A:SER29 4.8 0.0 1.0 H A:GLY20 4.8 0.0 1.0 CA A:LYS27 4.8 0.0 1.0 O A:LYS25 4.8 0.0 1.0 HD11 A:LEU28 4.9 0.0 1.0 CA A:GLY20 4.9 0.0 1.0 CB A:GLU32 4.9 0.0 1.0 N A:ASP24 4.9 0.0 1.0 H A:ASP24 4.9 0.0 1.0 HB2 A:GLU32 4.9 0.0 1.0 H A:GLU22 5.0 0.0 1.0 H A:LEU28 5.0 0.0 1.0

N.T.Wright, K.M.Varney, K.C.Ellis, J.Markowitz, R.K.Gitti, D.B.Zimmer, D.J.Weber. The Three-Dimensional Solution Structure of Ca(2+)-Bound S100A1 As Determined By uc(Nmr) Spectroscopy J.Mol.Biol. V. 353 410 2006.
ISSN: ISSN 0022-2836
PubMed: 16169012
DOI: 10.1016/J.JMB.2005.08.027