Calcium in PDB 2k7o: CA2+-S100B, Refined with Rdcs

The binding sites of Calcium atom in the CA2+-S100B, Refined with Rdcs (pdb code 2k7o). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the CA2+-S100B, Refined with Rdcs, PDB code: 2k7o:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the CA2+-S100B, Refined with Rdcs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CA2+-S100B, Refined with Rdcs within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:0.0 occ:1.00 O A:SER18 2.4 0.0 1.0 OE1 A:GLU31 2.5 0.0 1.0 OE2 A:GLU31 2.7 0.0 1.0 O A:LYS26 2.8 0.0 1.0 CD A:GLU31 2.9 0.0 1.0 O A:GLU21 3.0 0.0 1.0 HA A:SER18 3.2 0.0 1.0 C A:SER18 3.4 0.0 1.0 O A:ASP23 3.5 0.0 1.0 H A:LYS26 3.5 0.0 1.0 HB3 A:SER18 3.5 0.0 1.0 H A:GLU21 3.7 0.0 1.0 CA A:SER18 3.7 0.0 1.0 HA A:LEU27 3.8 0.0 1.0 C A:LYS26 3.8 0.0 1.0 HD13 A:LEU27 3.8 0.0 1.0 HB3 A:LYS26 4.1 0.0 1.0 HA A:LYS24 4.1 0.0 1.0 H A:ARG20 4.1 0.0 1.0 C A:GLU21 4.1 0.0 1.0 CB A:SER18 4.2 0.0 1.0 N A:LYS26 4.3 0.0 1.0 H A:HIS25 4.4 0.0 1.0 CG A:GLU31 4.4 0.0 1.0 HA3 A:GLY22 4.4 0.0 1.0 N A:GLY19 4.5 0.0 1.0 N A:GLU21 4.5 0.0 1.0 HA2 A:GLY19 4.6 0.0 1.0 H A:LYS28 4.6 0.0 1.0 C A:ASP23 4.6 0.0 1.0 CA A:LYS26 4.6 0.0 1.0 N A:LEU27 4.7 0.0 1.0 CA A:LEU27 4.7 0.0 1.0 HG A:LEU27 4.7 0.0 1.0 HG3 A:GLU31 4.7 0.0 1.0 C A:GLY22 4.8 0.0 1.0 HB2 A:GLU31 4.8 0.0 1.0 N A:ARG20 4.8 0.0 1.0 CD1 A:LEU27 4.8 0.0 1.0 CB A:LYS26 4.9 0.0 1.0 O A:GLY22 4.9 0.0 1.0 N A:HIS25 4.9 0.0 1.0 HB2 A:SER18 4.9 0.0 1.0 O A:TYR17 5.0 0.0 1.0 CA A:GLY22 5.0 0.0 1.0 CA A:LYS24 5.0 0.0 1.0

Calcium binding site 2 out of 4 in the CA2+-S100B, Refined with Rdcs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of CA2+-S100B, Refined with Rdcs within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:0.0 occ:1.00 OE1 B:GLU31 2.2 0.0 1.0 O B:GLU21 2.6 0.0 1.0 OE2 B:GLU31 2.7 0.0 1.0 CD B:GLU31 2.7 0.0 1.0 O B:SER18 2.8 0.0 1.0 O B:LYS26 2.8 0.0 1.0 H B:GLU21 3.5 0.0 1.0 HA B:SER18 3.6 0.0 1.0 O B:ASP23 3.7 0.0 1.0 C B:SER18 3.7 0.0 1.0 HA B:LEU27 3.7 0.0 1.0 C B:GLU21 3.8 0.0 1.0 H B:LYS26 3.9 0.0 1.0 C B:LYS26 3.9 0.0 1.0 HB3 B:SER18 4.0 0.0 1.0 HA3 B:GLY22 4.1 0.0 1.0 CA B:SER18 4.1 0.0 1.0 HB3 B:LYS26 4.1 0.0 1.0 CG B:GLU31 4.2 0.0 1.0 HD12 B:LEU27 4.2 0.0 1.0 H B:LYS28 4.3 0.0 1.0 H B:ARG20 4.3 0.0 1.0 N B:GLU21 4.4 0.0 1.0 HB2 B:GLU31 4.4 0.0 1.0 HG3 B:GLU31 4.4 0.0 1.0 HA B:LYS24 4.5 0.0 1.0 N B:LYS26 4.6 0.0 1.0 CB B:SER18 4.6 0.0 1.0 C B:GLY22 4.6 0.0 1.0 CA B:LEU27 4.7 0.0 1.0 CA B:GLY22 4.7 0.0 1.0 C B:ASP23 4.7 0.0 1.0 N B:GLY22 4.7 0.0 1.0 CA B:GLU21 4.7 0.0 1.0 N B:LEU27 4.7 0.0 1.0 CA B:LYS26 4.7 0.0 1.0 HG B:LEU27 4.8 0.0 1.0 CB B:GLU31 4.8 0.0 1.0 H B:HIS25 4.8 0.0 1.0 HB3 B:GLU21 4.8 0.0 1.0 HA2 B:GLY19 4.8 0.0 1.0 O B:GLY22 4.8 0.0 1.0 HG2 B:GLU31 4.9 0.0 1.0 N B:GLY19 4.9 0.0 1.0 HB3 B:GLU31 4.9 0.0 1.0 N B:ARG20 4.9 0.0 1.0 CB B:LYS26 4.9 0.0 1.0 HB2 B:ARG20 4.9 0.0 1.0 N B:ASP23 4.9 0.0 1.0

Calcium binding site 3 out of 4 in the CA2+-S100B, Refined with Rdcs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of CA2+-S100B, Refined with Rdcs within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:0.0 occ:1.00 OD1 A:ASP65 2.3 0.0 1.0 OE2 A:GLU72 2.4 0.0 1.0 OE1 A:GLU72 2.5 0.0 1.0 HA A:ASP61 2.5 0.0 1.0 CD A:GLU72 2.7 0.0 1.0 O A:GLU67 2.7 0.0 1.0 OD1 A:ASP63 2.8 0.0 1.0 OD1 A:ASP61 2.8 0.0 1.0 CG A:ASP65 2.8 0.0 1.0 HB3 A:ASP61 3.0 0.0 1.0 OD2 A:ASP65 3.0 0.0 1.0 CG A:ASP61 3.2 0.0 1.0 HA A:CYS68 3.2 0.0 1.0 CA A:ASP61 3.2 0.0 1.0 CB A:ASP61 3.3 0.0 1.0 H A:ASP65 3.4 0.0 1.0 H A:ASP69 3.6 0.0 1.0 H A:ASP63 3.6 0.0 1.0 H A:GLU62 3.6 0.0 1.0 CG A:ASP63 3.8 0.0 1.0 C A:GLU67 3.9 0.0 1.0 C A:ASP61 3.9 0.0 1.0 N A:GLU62 4.0 0.0 1.0 OD2 A:ASP61 4.0 0.0 1.0 H A:GLY64 4.0 0.0 1.0 CB A:ASP65 4.1 0.0 1.0 CG A:GLU72 4.1 0.0 1.0 N A:ASP65 4.2 0.0 1.0 CA A:CYS68 4.2 0.0 1.0 HB3 A:ASP65 4.2 0.0 1.0 OD2 A:ASP63 4.2 0.0 1.0 HB2 A:GLU72 4.2 0.0 1.0 H A:GLU67 4.3 0.0 1.0 HB2 A:ASP61 4.3 0.0 1.0 HD22 A:LEU60 4.4 0.0 1.0 H A:GLY66 4.4 0.0 1.0 N A:ASP63 4.4 0.0 1.0 N A:ASP61 4.5 0.0 1.0 HB3 A:GLU72 4.5 0.0 1.0 N A:ASP69 4.5 0.0 1.0 N A:CYS68 4.5 0.0 1.0 CB A:GLU72 4.5 0.0 1.0 N A:GLY64 4.6 0.0 1.0 HE1 A:MET57 4.6 0.0 1.0 HG3 A:GLU72 4.7 0.0 1.0 CA A:ASP65 4.7 0.0 1.0 HG2 A:GLU72 4.7 0.0 1.0 HD21 A:LEU60 4.7 0.0 1.0 N A:GLU67 4.7 0.0 1.0 O A:ASP61 4.8 0.0 1.0 N A:GLY66 4.9 0.0 1.0 HB2 A:ASP69 4.9 0.0 1.0 HB2 A:ASP65 4.9 0.0 1.0 C A:CYS68 4.9 0.0 1.0 O A:LEU60 5.0 0.0 1.0 CA A:GLU67 5.0 0.0 1.0 CD2 A:LEU60 5.0 0.0 1.0 H A:ASP61 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the CA2+-S100B, Refined with Rdcs


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of CA2+-S100B, Refined with Rdcs within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca104 b:0.0 occ:1.00 OD1 B:ASP65 2.0 0.0 1.0 HA B:ASP61 2.5 0.0 1.0 OE2 B:GLU72 2.5 0.0 1.0 OD1 B:ASP63 2.6 0.0 1.0 OE1 B:GLU72 2.6 0.0 1.0 CG B:ASP65 2.7 0.0 1.0 O B:GLU67 2.7 0.0 1.0 HB3 B:ASP61 2.7 0.0 1.0 OD1 B:ASP61 2.9 0.0 1.0 CD B:GLU72 2.9 0.0 1.0 OD2 B:ASP65 2.9 0.0 1.0 H B:ASP65 3.1 0.0 1.0 CG B:ASP61 3.1 0.0 1.0 CB B:ASP61 3.1 0.0 1.0 CA B:ASP61 3.2 0.0 1.0 HA B:CYS68 3.4 0.0 1.0 H B:ASP63 3.5 0.0 1.0 CG B:ASP63 3.6 0.0 1.0 H B:GLU62 3.7 0.0 1.0 H B:ASP69 3.8 0.0 1.0 H B:GLY64 3.8 0.0 1.0 N B:ASP65 3.9 0.0 1.0 C B:ASP61 3.9 0.0 1.0 CB B:ASP65 3.9 0.0 1.0 C B:GLU67 3.9 0.0 1.0 OD2 B:ASP61 3.9 0.0 1.0 HB3 B:ASP65 4.0 0.0 1.0 N B:GLU62 4.0 0.0 1.0 OD2 B:ASP63 4.1 0.0 1.0 H B:GLY66 4.1 0.0 1.0 HB2 B:ASP61 4.2 0.0 1.0 H B:GLU67 4.2 0.0 1.0 N B:ASP63 4.3 0.0 1.0 N B:GLY64 4.3 0.0 1.0 CG B:GLU72 4.4 0.0 1.0 CA B:CYS68 4.4 0.0 1.0 CA B:ASP65 4.4 0.0 1.0 N B:ASP61 4.5 0.0 1.0 HD22 B:LEU60 4.5 0.0 1.0 HB2 B:GLU72 4.5 0.0 1.0 HE3 B:MET57 4.6 0.0 1.0 N B:GLY66 4.6 0.0 1.0 N B:CYS68 4.6 0.0 1.0 N B:GLU67 4.7 0.0 1.0 N B:ASP69 4.7 0.0 1.0 O B:ASP61 4.7 0.0 1.0 HB2 B:ASP65 4.7 0.0 1.0 HB3 B:GLU72 4.7 0.0 1.0 CB B:GLU72 4.8 0.0 1.0 C B:GLY64 4.8 0.0 1.0 C B:ASP65 4.9 0.0 1.0 HG3 B:GLU72 4.9 0.0 1.0 CB B:ASP63 4.9 0.0 1.0 C B:ASP63 4.9 0.0 1.0 HA2 B:GLY64 4.9 0.0 1.0 HG2 B:GLU72 4.9 0.0 1.0 CA B:ASP63 5.0 0.0 1.0 HD21 B:LEU60 5.0 0.0 1.0 CA B:GLU67 5.0 0.0 1.0 CA B:GLY64 5.0 0.0 1.0 H B:ASP61 5.0 0.0 1.0

N.T.Wright, K.G.Inman, J.A.Levine, B.R.Cannon, K.M.Varney, D.J.Weber. Refinement of the Solution Structure and Dynamic Properties of Ca(2+)-Bound Rat S100B. J.Biomol.uc(Nmr) V. 42 279 2008.
ISSN: ISSN 0925-2738
PubMed: 18949447
DOI: 10.1007/S10858-008-9282-Y