Calcium in PDB 2lp3: Solution Structure of S100A1 CA2+

The binding sites of Calcium atom in the Solution Structure of S100A1 CA2+ (pdb code 2lp3). 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 CA2+, PDB code: 2lp3:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution Structure of S100A1 CA2+


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 CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.0 occ:1.00 OE1 A:GLU32 2.4 0.0 1.0 O A:GLU22 2.5 0.0 1.0 O A:SER19 2.5 0.0 1.0 O A:LYS27 2.5 0.0 1.0 O A:ASP24 2.5 0.0 1.0 HB3 A:SER19 2.6 0.0 1.0 OE2 A:GLU32 2.8 0.0 1.0 CD A:GLU32 3.0 0.0 1.0 HA A:SER19 3.0 0.0 1.0 C A:SER19 3.2 0.0 1.0 CA A:SER19 3.4 0.0 1.0 CB A:SER19 3.4 0.0 1.0 C A:ASP24 3.4 0.0 1.0 HA A:LEU28 3.5 0.0 1.0 HA A:LYS25 3.5 0.0 1.0 C A:GLU22 3.7 0.0 1.0 C A:LYS27 3.8 0.0 1.0 N A:ASP24 4.0 0.0 1.0 H A:SER29 4.0 0.0 1.0 H A:GLU22 4.0 0.0 1.0 C A:GLY23 4.1 0.0 1.0 H A:ASP24 4.1 0.0 1.0 HA3 A:GLY23 4.1 0.0 1.0 N A:LYS25 4.1 0.0 1.0 HB2 A:SER19 4.1 0.0 1.0 CA A:LYS25 4.2 0.0 1.0 H A:LYS27 4.2 0.0 1.0 OG A:SER19 4.3 0.0 1.0 CA A:ASP24 4.3 0.0 1.0 CA A:LEU28 4.4 0.0 1.0 N A:GLY20 4.4 0.0 1.0 C A:LYS25 4.4 0.0 1.0 O A:LYS25 4.4 0.0 1.0 O A:GLY23 4.4 0.0 1.0 HB3 A:LYS27 4.4 0.0 1.0 CG A:GLU32 4.5 0.0 1.0 CA A:GLY23 4.5 0.0 1.0 N A:GLY23 4.5 0.0 1.0 N A:LEU28 4.6 0.0 1.0 N A:SER29 4.7 0.0 1.0 HB2 A:GLU22 4.7 0.0 1.0 N A:GLU22 4.7 0.0 1.0 N A:LYS27 4.7 0.0 1.0 CA A:GLU22 4.7 0.0 1.0 HB3 A:SER29 4.7 0.0 1.0 CA A:LYS27 4.8 0.0 1.0 HA2 A:GLY20 4.8 0.0 1.0 N A:SER19 4.8 0.0 1.0 HG A:LEU28 4.8 0.0 1.0 HG3 A:GLU32 4.8 0.0 1.0 HB2 A:GLU32 4.9 0.0 1.0 HG A:SER19 4.9 0.0 1.0 H A:LYS25 5.0 0.0 1.0 C A:LEU28 5.0 0.0 1.0 HB3 A:ASP24 5.0 0.0 1.0

Calcium binding site 2 out of 4 in the Solution Structure of S100A1 CA2+


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 CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:0.0 occ:1.00 OD1 A:ASP62 2.2 0.0 1.0 OD2 A:ASP66 2.3 0.0 1.0 OE2 A:GLU73 2.3 0.0 1.0 OD1 A:ASN64 2.5 0.0 1.0 O A:GLU68 2.5 0.0 1.0 HB2 A:ASN64 2.7 0.0 1.0 CG A:ASP66 2.8 0.0 1.0 HA A:ASP62 2.9 0.0 1.0 OD1 A:ASP66 2.9 0.0 1.0 CD A:GLU73 3.1 0.0 1.0 OE1 A:GLU73 3.2 0.0 1.0 CG A:ASP62 3.3 0.0 1.0 H A:ASN64 3.3 0.0 1.0 CG A:ASN64 3.3 0.0 1.0 CB A:ASN64 3.5 0.0 1.0 HA A:VAL69 3.5 0.0 1.0 C A:GLU68 3.8 0.0 1.0 CA A:ASP62 3.8 0.0 1.0 H A:ASP70 3.9 0.0 1.0 H A:ASP66 3.9 0.0 1.0 H A:GLU63 4.0 0.0 1.0 CB A:ASP62 4.0 0.0 1.0 H A:GLY65 4.0 0.0 1.0 H A:GLU68 4.1 0.0 1.0 N A:ASN64 4.1 0.0 1.0 HB2 A:ASP62 4.1 0.0 1.0 CB A:ASP66 4.2 0.0 1.0 OD2 A:ASP62 4.2 0.0 1.0 HB3 A:ASN64 4.2 0.0 1.0 HB3 A:ASP66 4.3 0.0 1.0 C A:ASP62 4.3 0.0 1.0 H A:GLY67 4.3 0.0 1.0 N A:GLU63 4.3 0.0 1.0 CA A:VAL69 4.4 0.0 1.0 CA A:ASN64 4.4 0.0 1.0 HZ1 A:LYS27 4.4 0.0 1.0 OD2 A:ASP70 4.5 0.0 1.0 CG A:GLU73 4.5 0.0 1.0 ND2 A:ASN64 4.5 0.0 1.0 N A:ASP70 4.5 0.0 1.0 CG A:ASP70 4.5 0.0 1.0 N A:VAL69 4.5 0.0 1.0 OD1 A:ASP70 4.6 0.0 1.0 HG3 A:GLU73 4.6 0.0 1.0 N A:GLU68 4.6 0.0 1.0 N A:ASP66 4.7 0.0 1.0 O A:LEU61 4.7 0.0 1.0 HB3 A:GLU68 4.7 0.0 1.0 N A:GLY65 4.8 0.0 1.0 HB2 A:ASP70 4.8 0.0 1.0 CA A:GLU68 4.8 0.0 1.0 HD22 A:ASN64 4.9 0.0 1.0 HG21 A:VAL69 4.9 0.0 1.0 C A:VAL69 4.9 0.0 1.0 HB2 A:ASP66 4.9 0.0 1.0 N A:ASP62 4.9 0.0 1.0 HG2 A:GLU73 4.9 0.0 1.0

Calcium binding site 3 out of 4 in the Solution Structure of S100A1 CA2+


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 CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:0.0 occ:1.00 OE1 B:GLU32 2.4 0.0 1.0 O B:GLU22 2.5 0.0 1.0 O B:SER19 2.5 0.0 1.0 O B:LYS27 2.5 0.0 1.0 O B:ASP24 2.5 0.0 1.0 HB3 B:SER19 2.6 0.0 1.0 OE2 B:GLU32 2.8 0.0 1.0 CD B:GLU32 3.0 0.0 1.0 HA B:SER19 3.0 0.0 1.0 C B:SER19 3.2 0.0 1.0 CA B:SER19 3.4 0.0 1.0 CB B:SER19 3.4 0.0 1.0 C B:ASP24 3.4 0.0 1.0 HA B:LEU28 3.5 0.0 1.0 HA B:LYS25 3.5 0.0 1.0 C B:GLU22 3.7 0.0 1.0 C B:LYS27 3.8 0.0 1.0 N B:ASP24 4.0 0.0 1.0 H B:SER29 4.0 0.0 1.0 H B:GLU22 4.0 0.0 1.0 C B:GLY23 4.1 0.0 1.0 H B:ASP24 4.1 0.0 1.0 HA3 B:GLY23 4.1 0.0 1.0 N B:LYS25 4.1 0.0 1.0 HB2 B:SER19 4.1 0.0 1.0 CA B:LYS25 4.2 0.0 1.0 H B:LYS27 4.2 0.0 1.0 OG B:SER19 4.3 0.0 1.0 CA B:ASP24 4.3 0.0 1.0 CA B:LEU28 4.4 0.0 1.0 N B:GLY20 4.4 0.0 1.0 C B:LYS25 4.4 0.0 1.0 O B:LYS25 4.4 0.0 1.0 O B:GLY23 4.4 0.0 1.0 HB3 B:LYS27 4.4 0.0 1.0 CG B:GLU32 4.5 0.0 1.0 CA B:GLY23 4.5 0.0 1.0 N B:GLY23 4.5 0.0 1.0 N B:LEU28 4.6 0.0 1.0 N B:SER29 4.7 0.0 1.0 HB2 B:GLU22 4.7 0.0 1.0 N B:GLU22 4.7 0.0 1.0 N B:LYS27 4.7 0.0 1.0 CA B:GLU22 4.7 0.0 1.0 HB3 B:SER29 4.7 0.0 1.0 CA B:LYS27 4.8 0.0 1.0 HA2 B:GLY20 4.8 0.0 1.0 N B:SER19 4.8 0.0 1.0 HG B:LEU28 4.8 0.0 1.0 HG3 B:GLU32 4.8 0.0 1.0 HB2 B:GLU32 4.9 0.0 1.0 HG B:SER19 4.9 0.0 1.0 H B:LYS25 5.0 0.0 1.0 C B:LEU28 5.0 0.0 1.0 HB3 B:ASP24 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the Solution Structure of S100A1 CA2+


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 CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:0.0 occ:1.00 OD1 B:ASP62 2.2 0.0 1.0 OD2 B:ASP66 2.3 0.0 1.0 OE2 B:GLU73 2.3 0.0 1.0 OD1 B:ASN64 2.5 0.0 1.0 O B:GLU68 2.5 0.0 1.0 HB2 B:ASN64 2.7 0.0 1.0 CG B:ASP66 2.8 0.0 1.0 HA B:ASP62 2.9 0.0 1.0 OD1 B:ASP66 2.9 0.0 1.0 CD B:GLU73 3.1 0.0 1.0 OE1 B:GLU73 3.2 0.0 1.0 CG B:ASP62 3.3 0.0 1.0 H B:ASN64 3.3 0.0 1.0 CG B:ASN64 3.3 0.0 1.0 CB B:ASN64 3.5 0.0 1.0 HA B:VAL69 3.5 0.0 1.0 C B:GLU68 3.8 0.0 1.0 CA B:ASP62 3.8 0.0 1.0 H B:ASP70 3.9 0.0 1.0 H B:ASP66 3.9 0.0 1.0 H B:GLU63 4.0 0.0 1.0 CB B:ASP62 4.0 0.0 1.0 H B:GLY65 4.0 0.0 1.0 H B:GLU68 4.1 0.0 1.0 N B:ASN64 4.1 0.0 1.0 HB2 B:ASP62 4.1 0.0 1.0 CB B:ASP66 4.2 0.0 1.0 OD2 B:ASP62 4.2 0.0 1.0 HB3 B:ASN64 4.2 0.0 1.0 HB3 B:ASP66 4.3 0.0 1.0 C B:ASP62 4.3 0.0 1.0 H B:GLY67 4.3 0.0 1.0 N B:GLU63 4.3 0.0 1.0 CA B:VAL69 4.4 0.0 1.0 CA B:ASN64 4.4 0.0 1.0 HZ1 B:LYS27 4.4 0.0 1.0 OD2 B:ASP70 4.5 0.0 1.0 CG B:GLU73 4.5 0.0 1.0 ND2 B:ASN64 4.5 0.0 1.0 N B:ASP70 4.5 0.0 1.0 CG B:ASP70 4.5 0.0 1.0 N B:VAL69 4.5 0.0 1.0 OD1 B:ASP70 4.6 0.0 1.0 HG3 B:GLU73 4.6 0.0 1.0 N B:GLU68 4.6 0.0 1.0 N B:ASP66 4.7 0.0 1.0 O B:LEU61 4.7 0.0 1.0 HB3 B:GLU68 4.7 0.0 1.0 N B:GLY65 4.8 0.0 1.0 HB2 B:ASP70 4.8 0.0 1.0 CA B:GLU68 4.8 0.0 1.0 HD22 B:ASN64 4.9 0.0 1.0 HG21 B:VAL69 4.9 0.0 1.0 C B:VAL69 4.9 0.0 1.0 HB2 B:ASP66 4.9 0.0 1.0 N B:ASP62 4.9 0.0 1.0 HG2 B:GLU73 4.9 0.0 1.0

M.Nowakowski, K.Ruszczynska-Bartnik, M.Budzinska, L.Jaremko, M.Jaremko, K.Zdanowski, A.Bierzynski, A.Ejchart. Impact of Calcium Binding and Thionylation of S100A1 Protein on Its Nuclear Magnetic Resonance-Derived Structure and Backbone Dynamics. Biochemistry V. 52 1149 2013.
ISSN: ISSN 0006-2960
PubMed: 23351007
DOI: 10.1021/BI3015407