Calcium in PDB 6u3b: 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex

The structure of 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex, PDB code: 6u3b was solved by K.Wang, F.Van Petegem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.58 / 1.70
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	41.611, 56.594, 68.586, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20

The binding sites of Calcium atom in the 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex (pdb code 6u3b). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex, PDB code: 6u3b:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:10.6 occ:1.00 OD1 A:ASP20 2.3 11.7 1.0 O A:THR26 2.4 18.0 1.0 OD1 A:ASP22 2.4 12.6 1.0 OE2 A:GLU31 2.4 12.9 1.0 O A:HOH659 2.4 16.8 1.0 OD1 A:ASP24 2.4 15.6 1.0 OE1 A:GLU31 2.5 15.2 1.0 CD A:GLU31 2.8 15.4 1.0 CG A:ASP22 3.3 15.2 1.0 CG A:ASP24 3.4 12.2 1.0 CG A:ASP20 3.5 11.6 1.0 C A:THR26 3.6 14.4 1.0 OD2 A:ASP22 3.7 17.5 1.0 OD2 A:ASP24 3.9 15.8 1.0 N A:THR26 4.2 11.1 1.0 OG1 A:THR26 4.2 26.3 1.0 N A:ASP24 4.2 13.1 1.0 CA A:ASP20 4.2 10.6 1.0 CG A:GLU31 4.3 9.8 1.0 N A:ASP22 4.3 10.8 1.0 OD2 A:ASP20 4.3 10.4 1.0 CB A:ASP20 4.4 7.8 1.0 CB A:ASP24 4.4 15.5 1.0 CA A:THR26 4.4 9.3 1.0 C A:ASP20 4.5 10.3 1.0 N A:ILE27 4.5 10.4 1.0 CB A:ASP22 4.5 12.5 1.0 N A:GLY23 4.5 10.1 1.0 N A:LYS21 4.6 9.4 1.0 CA A:ILE27 4.6 8.9 1.0 CG2 A:THR28 4.7 11.9 1.0 N A:GLY25 4.7 11.6 1.0 CA A:ASP24 4.7 14.7 1.0 CA A:ASP22 4.7 12.0 1.0 C A:ASP22 4.8 11.1 1.0 N A:THR28 4.9 10.4 1.0 C A:ASP24 4.9 13.8 1.0 O A:HOH646 5.0 21.3 1.0 CB A:THR26 5.0 19.3 1.0

Calcium binding site 2 out of 5 in the 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:14.2 occ:1.00 OD1 A:ASP56 2.2 15.8 1.0 O A:HOH639 2.4 21.1 1.0 OD1 A:ASP58 2.4 18.1 1.0 O A:THR62 2.5 14.1 1.0 OD1 A:ASN60 2.5 18.0 1.0 OE1 A:GLU67 2.5 11.3 1.0 OE2 A:GLU67 2.6 13.2 1.0 CD A:GLU67 2.9 13.7 1.0 O A:HOH622 3.0 24.3 1.0 CG A:ASP56 3.3 18.3 1.0 CG A:ASN60 3.4 21.2 1.0 CG A:ASP58 3.4 20.6 1.0 C A:THR62 3.6 10.0 1.0 OD2 A:ASP58 3.9 21.1 1.0 ND2 A:ASN60 3.9 27.1 1.0 OD2 A:ASP56 4.1 17.1 1.0 CB A:ASP56 4.2 14.6 1.0 CA A:ASP56 4.3 16.0 1.0 N A:ASN60 4.3 19.4 1.0 N A:THR62 4.3 15.7 1.0 N A:ASP58 4.4 17.2 1.0 CG A:GLU67 4.4 10.5 1.0 N A:ASP64 4.5 11.4 1.0 N A:ILE63 4.5 9.6 1.0 CA A:ILE63 4.5 8.9 1.0 OG1 A:THR62 4.5 16.7 1.0 CB A:ASN60 4.5 20.1 1.0 N A:GLY59 4.5 20.4 1.0 C A:ASP56 4.6 17.6 1.0 CA A:THR62 4.6 12.2 1.0 CB A:ASP58 4.6 19.2 1.0 N A:ALA57 4.7 18.6 1.0 OD2 A:ASP64 4.7 14.7 1.0 O A:HOH707 4.7 35.8 1.0 CG A:ASP64 4.8 13.2 1.0 CA A:ASP58 4.8 20.0 1.0 CA A:ASN60 4.8 20.4 1.0 C A:ILE63 4.9 9.8 1.0 N A:GLY61 4.9 20.8 1.0 C A:ASP58 4.9 23.1 1.0

Calcium binding site 3 out of 5 in the 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:12.8 occ:1.00 OD1 A:ASP93 2.3 14.8 1.0 O A:TYR99 2.4 12.6 1.0 OD1 A:ASP95 2.4 17.5 1.0 OD1 A:ASN97 2.4 18.0 1.0 O A:HOH625 2.4 14.8 1.0 OE2 A:GLU104 2.5 14.2 1.0 OE1 A:GLU104 2.5 13.7 1.0 CD A:GLU104 2.8 14.8 1.0 CG A:ASN97 3.3 18.8 1.0 CG A:ASP95 3.4 17.7 1.0 CG A:ASP93 3.5 17.1 1.0 C A:TYR99 3.6 11.5 1.0 OD2 A:ASP95 3.7 16.9 1.0 ND2 A:ASN97 3.7 17.5 1.0 CA A:ASP93 4.1 14.7 1.0 CB A:ASP93 4.2 11.6 1.0 N A:TYR99 4.3 12.3 1.0 N A:ASN97 4.3 19.9 1.0 CG A:GLU104 4.3 11.5 1.0 OD2 A:ASP93 4.4 15.1 1.0 N A:ILE100 4.5 11.6 1.0 C A:ASP93 4.5 12.6 1.0 CA A:ILE100 4.5 14.1 1.0 CB A:ASN97 4.5 17.5 1.0 CA A:TYR99 4.5 13.0 1.0 N A:ASP95 4.6 14.0 1.0 CD1 A:TYR99 4.6 14.6 1.0 N A:GLY96 4.7 15.2 1.0 CB A:ASP95 4.7 20.4 1.0 CE1 A:TYR99 4.8 15.5 1.0 N A:LYS94 4.8 16.3 1.0 N A:SER101 4.8 15.0 1.0 CA A:ASN97 4.8 15.8 1.0 N A:GLY98 4.8 16.3 1.0 CG A:TYR99 4.8 16.2 1.0 CA A:ASP95 5.0 16.0 1.0 C A:ASP95 5.0 17.6 1.0 C A:ASN97 5.0 13.9 1.0

Calcium binding site 4 out of 5 in the 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:12.0 occ:1.00 OD1 A:ASP129 2.3 11.9 1.0 O A:HOH691 2.4 12.4 1.0 OD1 A:ASP133 2.4 14.0 1.0 O A:PRO135 2.4 15.3 1.0 OD1 A:ASP131 2.4 14.6 1.0 OE1 A:GLU140 2.5 10.9 1.0 OE2 A:GLU140 2.6 12.6 1.0 CD A:GLU140 2.9 10.6 1.0 CG A:ASP131 3.3 19.9 1.0 CG A:ASP133 3.4 15.1 1.0 CG A:ASP129 3.4 13.3 1.0 OD2 A:ASP131 3.6 16.4 1.0 C A:PRO135 3.6 12.6 1.0 OD2 A:ASP133 3.9 18.3 1.0 N A:ASP133 4.1 14.2 1.0 CA A:ASP129 4.3 8.8 1.0 OD2 A:ASP129 4.3 15.4 1.0 CB A:ASP129 4.3 8.7 1.0 N A:GLY134 4.4 12.3 1.0 N A:ASN137 4.4 10.1 1.0 CG A:GLU140 4.4 10.6 1.0 N A:GLY132 4.4 14.8 1.0 N A:ASP131 4.4 13.2 1.0 CA A:VAL136 4.4 9.6 1.0 N A:PRO135 4.5 15.1 1.0 N A:VAL136 4.5 12.7 1.0 CB A:ASP133 4.5 14.4 1.0 C A:ASP129 4.6 9.6 1.0 CB A:ASP131 4.6 16.8 1.0 CA A:ASP133 4.6 13.7 1.0 CA A:PRO135 4.7 13.1 1.0 C A:GLY134 4.7 17.9 1.0 N A:ILE130 4.8 10.3 1.0 C A:ASP133 4.8 15.4 1.0 C A:ASP131 4.8 15.6 1.0 CD A:PRO135 4.8 18.0 1.0 CA A:ASP131 4.8 13.9 1.0 C A:VAL136 4.9 12.3 1.0 CG A:ASN137 4.9 18.1 1.0

Calcium binding site 5 out of 5 in the 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of 1.7 Angstrom Crystal Structure of the Q135P Ca-Cam:CAV1.2 Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1701 b:22.2 occ:1.00 OD1 B:ASP1611 2.4 23.1 1.0 O B:SER1608 2.4 25.1 1.0 OD2 A:ASP50 2.5 22.5 1.0 OD1 A:ASP50 2.6 24.2 1.0 CG A:ASP50 2.8 24.4 1.0 CG B:ASP1611 3.3 25.4 1.0 C B:SER1608 3.5 26.8 1.0 CB B:ASP1611 3.8 21.0 1.0 OD2 B:ASP1611 4.2 25.6 1.0 O A:HOH664 4.3 23.9 1.0 N B:SER1608 4.3 23.3 1.0 CB A:ASP50 4.3 18.1 1.0 CA B:SER1608 4.3 25.3 1.0 N B:ASN1609 4.4 24.3 1.0 N B:ASP1611 4.4 20.2 1.0 CA B:ASN1609 4.5 29.0 1.0 CB B:SER1608 4.6 27.9 1.0 CA B:ASP1611 4.8 19.5 1.0 C B:ASN1609 4.9 28.5 1.0 N B:ALA1610 4.9 25.8 1.0

K.Wang, M.Brohus, C.Holt, M.T.Overgaard, R.Wimmer, F.Van Petegem. Arrhythmia Mutations in Calmodulin Can Disrupt Cooperativity of CA2+Binding and Cause Misfolding. J. Physiol. (Lond.) 2020.
ISSN: ISSN 1469-7793
PubMed: 32012279
DOI: 10.1113/JP279307