Calcium in PDB 1qlk: Solution Structure of Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures

The binding sites of Calcium atom in the Solution Structure of Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures (pdb code 1qlk). 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 Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures, PDB code: 1qlk:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution Structure of Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures


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 Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca92 b:0.0 occ:1.00 OE1 A:GLU31 2.6 0.0 1.0 HB2 A:SER18 2.6 0.0 1.0 O A:ASP23 2.7 0.0 1.0 HD13 A:LEU27 2.8 0.0 1.0 O A:LYS26 2.9 0.0 1.0 O A:SER18 3.0 0.0 1.0 HA A:LEU27 3.0 0.0 1.0 HA A:SER18 3.0 0.0 1.0 HB2 A:ASP23 3.4 0.0 1.0 CD A:GLU31 3.4 0.0 1.0 CB A:SER18 3.5 0.0 1.0 CA A:SER18 3.5 0.0 1.0 OE2 A:GLU31 3.5 0.0 1.0 C A:SER18 3.6 0.0 1.0 OE1 A:GLU21 3.6 0.0 1.0 HB3 A:ASP23 3.8 0.0 1.0 CD1 A:LEU27 3.8 0.0 1.0 C A:ASP23 3.8 0.0 1.0 C A:LYS26 4.0 0.0 1.0 CB A:ASP23 4.0 0.0 1.0 CA A:LEU27 4.0 0.0 1.0 H A:LYS28 4.1 0.0 1.0 OE2 A:GLU21 4.1 0.0 1.0 CD A:GLU21 4.1 0.0 1.0 HD12 A:LEU27 4.1 0.0 1.0 HB3 A:SER18 4.1 0.0 1.0 HA A:LYS24 4.2 0.0 1.0 HB2 A:GLU21 4.2 0.0 1.0 HG A:LEU27 4.2 0.0 1.0 OG A:SER18 4.4 0.0 1.0 N A:LEU27 4.5 0.0 1.0 HD11 A:LEU27 4.5 0.0 1.0 H A:LYS26 4.5 0.0 1.0 CG A:LEU27 4.5 0.0 1.0 H A:GLU21 4.5 0.0 1.0 CA A:ASP23 4.5 0.0 1.0 N A:LYS24 4.7 0.0 1.0 N A:LYS28 4.8 0.0 1.0 HB2 A:GLU31 4.8 0.0 1.0 CB A:LEU27 4.8 0.0 1.0 CG A:GLU31 4.9 0.0 1.0 CA A:LYS24 4.9 0.0 1.0 N A:GLY19 4.9 0.0 1.0 N A:SER18 5.0 0.0 1.0 C A:LEU27 5.0 0.0 1.0 H A:ASP23 5.0 0.0 1.0 HB3 A:GLU31 5.0 0.0 1.0

Calcium binding site 2 out of 4 in the Solution Structure of Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures


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 Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca93 b:0.0 occ:1.00 OE2 A:GLU72 2.1 0.0 1.0 OD1 A:ASP65 2.3 0.0 1.0 OE1 A:GLU72 2.5 0.0 1.0 CD A:GLU72 2.5 0.0 1.0 H A:ASP65 2.7 0.0 1.0 O A:GLU67 2.9 0.0 1.0 OD1 A:ASP63 3.0 0.0 1.0 OD1 A:ASP61 3.0 0.0 1.0 HA A:ASP61 3.1 0.0 1.0 CG A:ASP65 3.2 0.0 1.0 HB3 A:ASP61 3.4 0.0 1.0 CG A:ASP61 3.6 0.0 1.0 N A:ASP65 3.6 0.0 1.0 H A:GLY64 3.7 0.0 1.0 H A:GLU62 3.7 0.0 1.0 OD2 A:ASP65 3.7 0.0 1.0 HA A:CYS68 3.8 0.0 1.0 H A:GLY66 3.8 0.0 1.0 CB A:ASP61 3.8 0.0 1.0 H A:ASP63 3.8 0.0 1.0 CA A:ASP61 3.9 0.0 1.0 H A:GLU67 3.9 0.0 1.0 HA2 A:GLY64 4.0 0.0 1.0 CG A:GLU72 4.0 0.0 1.0 C A:GLU67 4.0 0.0 1.0 N A:GLY64 4.1 0.0 1.0 CG A:ASP63 4.1 0.0 1.0 CB A:ASP65 4.3 0.0 1.0 HG2 A:GLU72 4.3 0.0 1.0 N A:GLU62 4.3 0.0 1.0 CA A:GLY64 4.4 0.0 1.0 HB3 A:ASP65 4.4 0.0 1.0 N A:GLY66 4.5 0.0 1.0 C A:GLY64 4.5 0.0 1.0 N A:GLU67 4.5 0.0 1.0 CA A:ASP65 4.5 0.0 1.0 HG3 A:GLU72 4.5 0.0 1.0 C A:ASP61 4.5 0.0 1.0 OD2 A:ASP61 4.6 0.0 1.0 OD2 A:ASP63 4.6 0.0 1.0 N A:ASP63 4.6 0.0 1.0 CA A:CYS68 4.7 0.0 1.0 HB3 A:GLU72 4.8 0.0 1.0 N A:CYS68 4.8 0.0 1.0 C A:ASP63 4.8 0.0 1.0 HB3 A:CYS68 4.9 0.0 1.0 HB2 A:ASP61 4.9 0.0 1.0 C A:ASP65 4.9 0.0 1.0 H A:ASP69 4.9 0.0 1.0 CB A:GLU72 4.9 0.0 1.0 CA A:GLU67 5.0 0.0 1.0

Calcium binding site 3 out of 4 in the Solution Structure of Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures


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 Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca92 b:0.0 occ:1.00 HB2 B:SER18 2.5 0.0 1.0 O B:ASP23 2.5 0.0 1.0 O B:LYS26 2.7 0.0 1.0 HD11 B:LEU27 2.9 0.0 1.0 O B:SER18 2.9 0.0 1.0 OE1 B:GLU31 2.9 0.0 1.0 HA B:LEU27 3.1 0.0 1.0 HA B:SER18 3.1 0.0 1.0 CB B:SER18 3.4 0.0 1.0 HB2 B:ASP23 3.4 0.0 1.0 CA B:SER18 3.5 0.0 1.0 C B:SER18 3.6 0.0 1.0 C B:ASP23 3.6 0.0 1.0 HB3 B:ASP23 3.7 0.0 1.0 CD B:GLU31 3.7 0.0 1.0 C B:LYS26 3.8 0.0 1.0 OE2 B:GLU31 3.8 0.0 1.0 OE1 B:GLU21 3.9 0.0 1.0 HA B:LYS24 3.9 0.0 1.0 CD1 B:LEU27 3.9 0.0 1.0 CB B:ASP23 3.9 0.0 1.0 HB3 B:SER18 4.0 0.0 1.0 CA B:LEU27 4.1 0.0 1.0 HG B:SER18 4.2 0.0 1.0 HD13 B:LEU27 4.2 0.0 1.0 H B:LYS26 4.2 0.0 1.0 H B:LYS28 4.3 0.0 1.0 OG B:SER18 4.3 0.0 1.0 HB2 B:GLU21 4.3 0.0 1.0 CD B:GLU21 4.3 0.0 1.0 OE2 B:GLU21 4.4 0.0 1.0 HG B:LEU27 4.4 0.0 1.0 N B:LEU27 4.4 0.0 1.0 CA B:ASP23 4.4 0.0 1.0 N B:LYS24 4.5 0.0 1.0 CA B:LYS24 4.6 0.0 1.0 HD12 B:LEU27 4.6 0.0 1.0 H B:GLU21 4.6 0.0 1.0 CG B:LEU27 4.6 0.0 1.0 N B:LYS26 4.8 0.0 1.0 N B:GLY19 4.8 0.0 1.0 CB B:LEU27 4.9 0.0 1.0 C B:LYS24 4.9 0.0 1.0 H B:ASP23 5.0 0.0 1.0 N B:SER18 5.0 0.0 1.0 CA B:LYS26 5.0 0.0 1.0 N B:LYS28 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the Solution Structure of Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures


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 Ca(2+)-Loaded Rat S100B (Betabeta) uc(Nmr), 20 Structures within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca93 b:0.0 occ:1.00 OD1 B:ASP65 2.1 0.0 1.0 OE2 B:GLU72 2.2 0.0 1.0 H B:ASP65 2.5 0.0 1.0 OE1 B:GLU72 2.7 0.0 1.0 CD B:GLU72 2.7 0.0 1.0 O B:GLU67 2.9 0.0 1.0 OD1 B:ASP63 2.9 0.0 1.0 CG B:ASP65 3.0 0.0 1.0 OD1 B:ASP61 3.1 0.0 1.0 HA B:ASP61 3.2 0.0 1.0 N B:ASP65 3.4 0.0 1.0 HB3 B:ASP61 3.5 0.0 1.0 OD2 B:ASP65 3.6 0.0 1.0 H B:GLY66 3.6 0.0 1.0 H B:GLY64 3.6 0.0 1.0 CG B:ASP61 3.7 0.0 1.0 H B:GLU67 3.7 0.0 1.0 H B:GLU62 3.8 0.0 1.0 HA2 B:GLY64 3.8 0.0 1.0 H B:ASP63 3.8 0.0 1.0 HA B:CYS68 3.9 0.0 1.0 CB B:ASP61 3.9 0.0 1.0 N B:GLY64 4.0 0.0 1.0 CA B:ASP61 4.0 0.0 1.0 C B:GLU67 4.0 0.0 1.0 CG B:ASP63 4.0 0.0 1.0 CB B:ASP65 4.1 0.0 1.0 CG B:GLU72 4.2 0.0 1.0 CA B:GLY64 4.2 0.0 1.0 HB3 B:ASP65 4.3 0.0 1.0 CA B:ASP65 4.3 0.0 1.0 N B:GLY66 4.3 0.0 1.0 C B:GLY64 4.3 0.0 1.0 N B:GLU67 4.4 0.0 1.0 N B:GLU62 4.4 0.0 1.0 HG2 B:GLU72 4.5 0.0 1.0 OD2 B:ASP63 4.5 0.0 1.0 OD2 B:ASP61 4.6 0.0 1.0 N B:ASP63 4.6 0.0 1.0 C B:ASP61 4.6 0.0 1.0 HG3 B:GLU72 4.6 0.0 1.0 C B:ASP65 4.7 0.0 1.0 C B:ASP63 4.7 0.0 1.0 CA B:CYS68 4.8 0.0 1.0 N B:CYS68 4.8 0.0 1.0 CA B:GLU67 4.9 0.0 1.0 HB2 B:ASP61 4.9 0.0 1.0 HB3 B:GLU72 4.9 0.0 1.0 H B:ASP69 5.0 0.0 1.0 HB3 B:CYS68 5.0 0.0 1.0

A.C.Drohat, D.M.Baldisseri, R.R.Rustandi, D.J.Weber. Solution Structure of Calcium-Bound Rat S100B(Betabeta) As Determined By Nuclear Magnetic Resonance Spectroscopy,. Biochemistry V. 37 2729 1998.
ISSN: ISSN 0006-2960
PubMed: 9485423
DOI: 10.1021/BI972635P