Calcium in PDB 1mwn: Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12

The binding sites of Calcium atom in the Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12 (pdb code 1mwn). 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 uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12, PDB code: 1mwn:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca100 b:0.0 occ:1.00 O A:ASP23 2.2 0.0 1.0 HD22 A:LEU27 2.2 0.0 1.0 OE1 A:GLU31 2.5 0.0 1.0 O A:LYS26 2.6 0.0 1.0 O A:SER18 2.6 0.0 1.0 HA A:LYS24 2.7 0.0 1.0 HA A:LEU27 3.1 0.0 1.0 HB2 A:SER18 3.1 0.0 1.0 C A:ASP23 3.2 0.0 1.0 HA A:SER18 3.2 0.0 1.0 CD2 A:LEU27 3.3 0.0 1.0 CA A:LYS24 3.4 0.0 1.0 C A:SER18 3.4 0.0 1.0 C A:LYS26 3.5 0.0 1.0 CD A:GLU31 3.6 0.0 1.0 C A:LYS24 3.6 0.0 1.0 HD23 A:LEU27 3.6 0.0 1.0 O A:LYS24 3.7 0.0 1.0 CA A:SER18 3.7 0.0 1.0 N A:LYS24 3.7 0.0 1.0 HD21 A:LEU27 3.8 0.0 1.0 CB A:SER18 3.9 0.0 1.0 OE2 A:GLU31 3.9 0.0 1.0 H A:LYS26 3.9 0.0 1.0 CA A:LEU27 4.0 0.0 1.0 HG A:LEU27 4.0 0.0 1.0 N A:LEU27 4.1 0.0 1.0 CG A:LEU27 4.2 0.0 1.0 N A:LYS26 4.2 0.0 1.0 HG A:SER18 4.4 0.0 1.0 N A:HIS25 4.4 0.0 1.0 CA A:ASP23 4.5 0.0 1.0 CA A:LYS26 4.5 0.0 1.0 HA2 A:GLY19 4.5 0.0 1.0 HB3 A:ASP23 4.5 0.0 1.0 O A:GLU21 4.5 0.0 1.0 H A:LYS28 4.5 0.0 1.0 N A:GLY19 4.6 0.0 1.0 N A:ASP23 4.6 0.0 1.0 HB3 A:SER18 4.6 0.0 1.0 HB3 A:GLU31 4.7 0.0 1.0 CB A:LEU27 4.7 0.0 1.0 H A:LYS24 4.7 0.0 1.0 H A:ASP23 4.7 0.0 1.0 OG A:SER18 4.7 0.0 1.0 HG3 A:LYS24 4.8 0.0 1.0 H A:HIS25 4.8 0.0 1.0 HB2 A:GLU31 4.8 0.0 1.0 CB A:LYS24 4.8 0.0 1.0 C A:HIS25 4.9 0.0 1.0 CG A:GLU31 4.9 0.0 1.0 H A:LEU27 4.9 0.0 1.0 HA A:LYS26 5.0 0.0 1.0

Calcium binding site 2 out of 4 in the Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:0.0 occ:1.00 HB2 A:ASP63 2.5 0.0 1.0 HA A:ASP61 2.7 0.0 1.0 O A:GLU67 2.7 0.0 1.0 OE1 A:GLU72 2.8 0.0 1.0 OE2 A:GLU72 2.8 0.0 1.0 OD2 A:ASP63 2.8 0.0 1.0 OD1 A:ASP61 2.9 0.0 1.0 OD1 A:ASP65 3.1 0.0 1.0 CD A:GLU72 3.2 0.0 1.0 OD2 A:ASP65 3.2 0.0 1.0 H A:ASP63 3.3 0.0 1.0 CB A:ASP63 3.3 0.0 1.0 CG A:ASP63 3.4 0.0 1.0 CG A:ASP65 3.5 0.0 1.0 HA A:CYS68 3.5 0.0 1.0 CG A:ASP61 3.6 0.0 1.0 CA A:ASP61 3.6 0.0 1.0 C A:GLU67 3.7 0.0 1.0 HB3 A:ASP63 4.0 0.0 1.0 N A:ASP63 4.0 0.0 1.0 HB2 A:GLU67 4.0 0.0 1.0 H A:GLU67 4.1 0.0 1.0 CB A:ASP61 4.1 0.0 1.0 C A:ASP61 4.1 0.0 1.0 H A:ASP65 4.2 0.0 1.0 H A:ASP69 4.2 0.0 1.0 H A:GLY64 4.2 0.0 1.0 CA A:ASP63 4.3 0.0 1.0 OD2 A:ASP61 4.3 0.0 1.0 HB2 A:ASP61 4.3 0.0 1.0 H A:GLU62 4.4 0.0 1.0 CA A:CYS68 4.4 0.0 1.0 OD1 A:ASP63 4.4 0.0 1.0 N A:GLU62 4.5 0.0 1.0 N A:CYS68 4.5 0.0 1.0 O A:LEU60 4.6 0.0 1.0 CA A:GLU67 4.7 0.0 1.0 O A:ASP61 4.7 0.0 1.0 CG A:GLU72 4.7 0.0 1.0 N A:GLU67 4.7 0.0 1.0 N A:ASP61 4.8 0.0 1.0 CB A:GLU67 4.8 0.0 1.0 N A:GLY64 4.9 0.0 1.0 N A:ASP69 4.9 0.0 1.0 CB A:ASP65 4.9 0.0 1.0

Calcium binding site 3 out of 4 in the Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:0.0 occ:1.00 HD23 B:LEU27 2.0 0.0 1.0 O B:ASP23 2.3 0.0 1.0 O B:LYS26 2.5 0.0 1.0 HA B:LYS24 2.7 0.0 1.0 O B:SER18 2.7 0.0 1.0 OE1 B:GLU31 2.8 0.0 1.0 HB2 B:SER18 2.8 0.0 1.0 HA B:LEU27 3.1 0.0 1.0 CD2 B:LEU27 3.1 0.0 1.0 HA B:SER18 3.2 0.0 1.0 C B:LYS26 3.3 0.0 1.0 C B:ASP23 3.4 0.0 1.0 O B:LYS24 3.4 0.0 1.0 CA B:LYS24 3.4 0.0 1.0 C B:SER18 3.4 0.0 1.0 C B:LYS24 3.5 0.0 1.0 HD22 B:LEU27 3.5 0.0 1.0 HD21 B:LEU27 3.6 0.0 1.0 CA B:SER18 3.6 0.0 1.0 CB B:SER18 3.7 0.0 1.0 HG B:LEU27 3.8 0.0 1.0 H B:LYS26 3.8 0.0 1.0 N B:LYS24 3.8 0.0 1.0 CD B:GLU31 3.9 0.0 1.0 CA B:LEU27 3.9 0.0 1.0 N B:LEU27 3.9 0.0 1.0 CG B:LEU27 4.0 0.0 1.0 N B:LYS26 4.0 0.0 1.0 OE2 B:GLU31 4.3 0.0 1.0 N B:HIS25 4.3 0.0 1.0 CA B:LYS26 4.3 0.0 1.0 HG B:SER18 4.3 0.0 1.0 HB3 B:SER18 4.4 0.0 1.0 OG B:SER18 4.5 0.0 1.0 CB B:LEU27 4.5 0.0 1.0 HA2 B:GLY19 4.6 0.0 1.0 N B:GLY19 4.6 0.0 1.0 C B:HIS25 4.6 0.0 1.0 HG3 B:LYS24 4.6 0.0 1.0 HB3 B:ASP23 4.7 0.0 1.0 CA B:ASP23 4.7 0.0 1.0 H B:LYS28 4.7 0.0 1.0 H B:HIS25 4.7 0.0 1.0 HA B:LYS26 4.7 0.0 1.0 H B:LEU27 4.8 0.0 1.0 CB B:LYS24 4.8 0.0 1.0 H B:LYS24 4.8 0.0 1.0 HB3 B:GLU31 4.8 0.0 1.0 O B:GLU21 4.9 0.0 1.0 N B:ASP23 4.9 0.0 1.0 HB2 B:GLU31 4.9 0.0 1.0 HB3 B:LEU27 5.0 0.0 1.0 H B:ASP23 5.0 0.0 1.0

Calcium binding site 4 out of 4 in the Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca103 b:0.0 occ:1.00 HB2 B:ASP63 2.4 0.0 1.0 HA B:ASP61 2.7 0.0 1.0 O B:GLU67 2.8 0.0 1.0 OE1 B:GLU72 2.8 0.0 1.0 OD2 B:ASP63 2.8 0.0 1.0 OE2 B:GLU72 2.8 0.0 1.0 OD1 B:ASP61 2.9 0.0 1.0 OD1 B:ASP65 3.1 0.0 1.0 CD B:GLU72 3.2 0.0 1.0 OD2 B:ASP65 3.3 0.0 1.0 CB B:ASP63 3.3 0.0 1.0 H B:ASP63 3.3 0.0 1.0 CG B:ASP63 3.3 0.0 1.0 CG B:ASP65 3.5 0.0 1.0 HA B:CYS68 3.5 0.0 1.0 CG B:ASP61 3.6 0.0 1.0 CA B:ASP61 3.6 0.0 1.0 C B:GLU67 3.8 0.0 1.0 HB3 B:ASP63 4.0 0.0 1.0 N B:ASP63 4.0 0.0 1.0 HB2 B:GLU67 4.1 0.0 1.0 H B:GLU67 4.1 0.0 1.0 C B:ASP61 4.1 0.0 1.0 CB B:ASP61 4.1 0.0 1.0 H B:ASP65 4.2 0.0 1.0 H B:ASP69 4.3 0.0 1.0 H B:GLY64 4.3 0.0 1.0 CA B:ASP63 4.3 0.0 1.0 OD2 B:ASP61 4.3 0.0 1.0 HB2 B:ASP61 4.4 0.0 1.0 OD1 B:ASP63 4.4 0.0 1.0 H B:GLU62 4.4 0.0 1.0 CA B:CYS68 4.5 0.0 1.0 N B:GLU62 4.5 0.0 1.0 N B:CYS68 4.5 0.0 1.0 O B:LEU60 4.6 0.0 1.0 CG B:GLU72 4.7 0.0 1.0 O B:ASP61 4.7 0.0 1.0 CA B:GLU67 4.7 0.0 1.0 N B:ASP61 4.8 0.0 1.0 N B:GLU67 4.8 0.0 1.0 CB B:GLU67 4.8 0.0 1.0 N B:GLY64 4.9 0.0 1.0 CB B:ASP65 4.9 0.0 1.0 N B:ASP69 4.9 0.0 1.0

K.G.Inman, R.Yang, R.R.Rustandi, K.E.Miller, D.M.Baldisseri, D.J.Weber. Solution uc(Nmr) Structure of S100B Bound to the High-Affinity Target Peptide Trtk-12 J.Mol.Biol. V. 324 1003 2002.
ISSN: ISSN 0022-2836
PubMed: 12470955
DOI: 10.1016/S0022-2836(02)01152-X