Calcium in PDB 7t2q: Pegylated Calmodulin-1 (K148U)

The structure of Pegylated Calmodulin-1 (K148U), PDB code: 7t2q was solved by J.P.Mackay, R.J.Payne, K.Patel, L.J.Dowman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.83 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	51.051, 56.347, 116.606, 90, 90, 90
R / Rfree (%)	22.1 / 25.8

The structure of Pegylated Calmodulin-1 (K148U) also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Magnesium	(Mg)	2 atoms

The binding sites of Calcium atom in the Pegylated Calmodulin-1 (K148U) (pdb code 7t2q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Pegylated Calmodulin-1 (K148U), PDB code: 7t2q:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Pegylated Calmodulin-1 (K148U)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pegylated Calmodulin-1 (K148U) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:19.0 occ:1.00 OD1 A:ASP57 2.3 20.7 1.0 OD1 A:ASP59 2.3 23.6 1.0 O A:THR63 2.3 20.9 1.0 OE1 A:GLU68 2.3 17.4 1.0 OD1 A:ASN61 2.4 17.3 1.0 O A:HOH312 2.5 28.1 1.0 OE2 A:GLU68 2.5 18.6 1.0 CD A:GLU68 2.7 20.8 1.0 CG A:ASP59 3.3 27.9 1.0 CG A:ASN61 3.4 22.2 1.0 CG A:ASP57 3.5 26.2 1.0 C A:THR63 3.5 21.5 1.0 OD2 A:ASP59 3.7 26.9 1.0 ND2 A:ASN61 4.0 25.8 1.0 O A:HOH329 4.1 28.1 1.0 N A:THR63 4.2 21.9 1.0 N A:ASN61 4.2 24.6 1.0 CG A:GLU68 4.3 21.6 1.0 OD2 A:ASP57 4.3 24.1 1.0 CA A:ASP57 4.3 18.9 1.0 N A:ASP59 4.4 23.1 1.0 CB A:ASP57 4.4 19.8 1.0 N A:ILE64 4.5 17.1 1.0 CA A:THR63 4.5 20.4 1.0 N A:ASP65 4.5 23.0 1.0 OD2 A:ASP65 4.5 31.6 1.0 CA A:ILE64 4.5 17.2 1.0 CB A:ASN61 4.6 21.0 1.0 CB A:ASP59 4.6 25.6 1.0 N A:GLY60 4.6 23.5 1.0 OG1 A:THR63 4.6 19.1 1.0 C A:ASP57 4.6 20.9 1.0 N A:GLY62 4.7 21.6 1.0 N A:ALA58 4.7 18.6 1.0 O A:HOH322 4.7 28.1 1.0 CA A:ASN61 4.8 26.0 1.0 CG A:ASP65 4.8 22.4 1.0 CA A:ASP59 4.8 25.1 1.0 C A:ASP59 4.9 26.7 1.0 C A:ILE64 4.9 19.9 1.0 C A:ASN61 5.0 24.7 1.0

Calcium binding site 2 out of 4 in the Pegylated Calmodulin-1 (K148U)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pegylated Calmodulin-1 (K148U) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:16.8 occ:1.00 O A:THR27 2.3 20.8 1.0 OD1 A:ASP21 2.3 21.5 1.0 O A:HOH330 2.3 28.1 1.0 OD1 A:ASP25 2.4 23.6 1.0 OD1 A:ASP23 2.4 20.2 1.0 OE1 A:GLU32 2.5 19.0 1.0 OE2 A:GLU32 2.5 19.6 1.0 CD A:GLU32 2.8 20.3 1.0 CG A:ASP23 3.3 28.2 1.0 CG A:ASP25 3.4 23.0 1.0 CG A:ASP21 3.5 20.2 1.0 C A:THR27 3.5 23.2 1.0 OD2 A:ASP23 3.6 23.3 1.0 OD2 A:ASP25 3.9 26.2 1.0 OG1 A:THR27 4.0 30.7 1.0 CA A:ASP21 4.1 20.1 1.0 N A:THR27 4.2 20.3 1.0 N A:ASP25 4.2 20.7 1.0 CB A:ASP21 4.3 21.6 1.0 OD2 A:ASP21 4.3 20.2 1.0 CG A:GLU32 4.4 18.0 1.0 CA A:THR27 4.4 24.0 1.0 O A:HOH310 4.4 28.1 1.0 CB A:ASP25 4.4 19.8 1.0 N A:ASP23 4.4 25.5 1.0 N A:ILE28 4.4 18.5 1.0 C A:ASP21 4.4 24.5 1.0 CA A:ILE28 4.5 18.3 1.0 N A:LYS22 4.6 25.4 1.0 N A:GLY24 4.6 24.9 1.0 CB A:ASP23 4.6 28.8 1.0 O A:HOH325 4.7 28.1 1.0 O A:HOH333 4.7 28.1 1.0 CA A:ASP25 4.7 22.7 1.0 N A:GLY26 4.8 19.1 1.0 CB A:THR27 4.8 24.7 1.0 CG2 A:THR29 4.8 20.6 1.0 N A:THR29 4.9 17.8 1.0 CA A:ASP23 4.9 26.6 1.0 C A:ASP23 4.9 26.4 1.0 C A:ASP25 5.0 22.1 1.0

Calcium binding site 3 out of 4 in the Pegylated Calmodulin-1 (K148U)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Pegylated Calmodulin-1 (K148U) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:21.1 occ:1.00 OD1 A:ASP96 2.3 20.6 1.0 O A:TYR100 2.3 20.1 1.0 OD1 A:ASP94 2.3 21.7 1.0 OE2 A:GLU105 2.4 15.9 1.0 OE1 A:GLU105 2.4 20.0 1.0 OD1 A:ASN98 2.4 24.7 1.0 O A:HOH369 2.5 28.1 1.0 CD A:GLU105 2.7 21.2 1.0 CG A:ASP96 3.2 24.2 1.0 CG A:ASN98 3.4 24.1 1.0 C A:TYR100 3.5 23.1 1.0 CG A:ASP94 3.5 24.1 1.0 OD2 A:ASP96 3.7 20.8 1.0 ND2 A:ASN98 3.9 22.1 1.0 N A:ASN98 4.2 23.6 1.0 CA A:ASP94 4.2 18.7 1.0 CG A:GLU105 4.3 22.4 1.0 N A:TYR100 4.3 24.2 1.0 N A:ASP96 4.3 20.8 1.0 OD2 A:ASP94 4.3 22.9 1.0 O A:HOH338 4.3 28.1 1.0 N A:GLY97 4.4 20.1 1.0 CB A:ASP94 4.4 17.8 1.0 N A:ILE101 4.4 20.7 1.0 CA A:TYR100 4.4 21.1 1.0 CA A:ILE101 4.4 22.9 1.0 CB A:ASP96 4.5 23.2 1.0 CB A:ASN98 4.5 24.0 1.0 C A:ASP94 4.5 17.7 1.0 N A:SER102 4.6 21.0 1.0 OE1 A:GLN136 4.7 30.1 1.0 N A:LYS95 4.7 20.1 1.0 CA A:ASP96 4.7 23.5 1.0 C A:ASP96 4.7 27.2 1.0 CA A:ASN98 4.8 25.9 1.0 CB A:TYR100 4.9 23.9 1.0 C A:ILE101 4.9 21.9 1.0 N A:GLY99 4.9 21.9 1.0 O A:HOH353 4.9 28.1 1.0

Calcium binding site 4 out of 4 in the Pegylated Calmodulin-1 (K148U)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Pegylated Calmodulin-1 (K148U) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:21.9 occ:1.00 O A:HOH327 2.3 28.1 1.0 OD1 A:ASP132 2.3 27.3 1.0 O A:GLN136 2.3 20.3 1.0 OD1 A:ASP130 2.3 27.9 1.0 OD1 A:ASP134 2.4 22.4 1.0 OE1 A:GLU141 2.4 25.4 1.0 OE2 A:GLU141 2.6 23.9 1.0 CD A:GLU141 2.9 27.6 1.0 CG A:ASP132 3.3 31.3 1.0 CG A:ASP134 3.3 25.4 1.0 CG A:ASP130 3.4 22.8 1.0 C A:GLN136 3.5 23.9 1.0 OD2 A:ASP132 3.6 32.0 1.0 OD2 A:ASP134 3.7 26.3 1.0 N A:ASP134 4.2 25.1 1.0 CA A:ASP130 4.2 25.7 1.0 N A:ASP132 4.2 24.1 1.0 N A:GLN136 4.2 21.9 1.0 OD2 A:ASP130 4.2 27.6 1.0 CB A:ASP130 4.3 25.1 1.0 N A:VAL137 4.3 21.8 1.0 N A:GLY133 4.4 30.5 1.0 CA A:VAL137 4.4 24.0 1.0 N A:ILE131 4.4 27.3 1.0 N A:ASN138 4.4 23.1 1.0 CG A:GLU141 4.4 30.4 1.0 CA A:GLN136 4.4 21.1 1.0 CB A:ASP134 4.5 23.2 1.0 CB A:ASP132 4.5 32.1 1.0 C A:ASP130 4.6 29.3 1.0 CA A:ASP132 4.7 26.4 1.0 C A:ASP132 4.8 31.0 1.0 CA A:ASP134 4.8 23.8 1.0 ND2 A:ASN138 4.8 25.3 1.0 N A:GLY135 4.8 18.6 1.0 CG A:ASN138 4.9 22.9 1.0 C A:VAL137 4.9 23.7 1.0

J.P.Mackay, R.J.Payne, K.Patel, L.J.Dowman. Pegylated Calmodulin-1 (K148U) To Be Published.