Calcium in PDB 5a50: The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline

The structure of The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline, PDB code: 5a50 was solved by M.Diaz, A.Albert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.56 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.737, 89.150, 112.475, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.5

The structure of The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline (pdb code 5a50). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline, PDB code: 5a50:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:28.2 occ:1.00 OD1 A:ASP51 2.3 24.5 1.0 OD2 A:ASP104 2.3 35.9 1.0 OD2 A:ASP102 2.3 29.4 1.0 OD1 A:ASP104 2.5 27.1 1.0 O A:ARG50 2.7 27.2 1.0 CG A:ASP104 2.7 28.9 1.0 OD2 A:ASP110 3.2 39.5 1.0 CG A:ASP51 3.5 27.1 1.0 CG A:ASP102 3.5 26.6 1.0 C A:ARG50 3.6 29.6 1.0 CA A:CA202 4.0 24.4 1.0 O A:HOH312 4.0 28.1 1.0 CG A:ASP110 4.1 31.6 1.0 CB A:ASP104 4.1 25.6 1.0 OD2 A:ASP51 4.2 26.6 1.0 OD1 A:ASP102 4.2 23.4 1.0 CB A:ARG50 4.3 21.0 1.0 N A:ASP51 4.4 25.3 1.0 CB A:ASP102 4.4 20.1 1.0 O A:ASP102 4.4 22.1 1.0 CB A:ASP51 4.5 27.3 1.0 O A:HOH352 4.5 37.2 1.0 CA A:ASP51 4.5 31.5 1.0 O A:LYS108 4.6 25.6 1.0 CB A:ASP110 4.6 26.0 1.0 CA A:ARG50 4.6 27.8 1.0 N A:ASP110 4.8 29.0 1.0 O A:HOH353 5.0 27.7 1.0 OD1 A:ASP110 5.0 39.1 1.0

Calcium binding site 2 out of 4 in the The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:24.4 occ:1.00 OD2 A:ASP51 2.3 26.6 1.0 O A:HOH353 2.4 27.7 1.0 OD1 A:ASP104 2.4 27.1 1.0 O A:HIS103 2.4 24.0 1.0 OD1 A:ASP102 2.5 23.4 1.0 OD2 A:ASP56 2.5 29.7 1.0 CG A:ASP51 2.9 27.1 1.0 OD1 A:ASP51 2.9 24.5 1.0 CG A:ASP102 3.2 26.6 1.0 OD2 A:ASP102 3.2 29.4 1.0 CG A:ASP56 3.5 26.7 1.0 C A:HIS103 3.5 24.7 1.0 CG A:ASP104 3.6 28.9 1.0 O A:HOH304 3.8 41.5 1.0 CB A:ASP56 3.8 24.5 1.0 N A:ASP56 4.0 23.2 1.0 CA A:CA201 4.0 28.2 1.0 CA A:ASP104 4.1 25.4 1.0 N A:ASP104 4.1 24.9 1.0 CB A:ASP51 4.3 27.3 1.0 N A:HIS103 4.4 24.5 1.0 CB A:ASP104 4.5 25.6 1.0 OD2 A:ASP104 4.5 35.9 1.0 C A:ASP102 4.5 24.2 1.0 NZ A:LYS75 4.5 31.5 1.0 CA A:ASP56 4.5 21.4 1.0 OD1 A:ASP56 4.5 28.8 1.0 CA A:HIS103 4.5 21.8 1.0 O A:ASP102 4.6 22.1 1.0 CB A:ASP102 4.6 20.1 1.0 C A:SER55 4.7 24.3 1.0 O A:HOH334 4.8 26.4 1.0 CE A:LYS75 4.8 36.7 1.0 O A:HOH352 4.8 37.2 1.0 CA A:SER55 4.8 23.0 1.0

Calcium binding site 3 out of 4 in the The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:23.4 occ:1.00 OD2 B:ASP51 2.2 25.8 1.0 OD1 B:ASP104 2.3 22.6 1.0 OD2 B:ASP56 2.4 17.0 1.0 O B:HIS103 2.4 21.0 1.0 OD1 B:ASP102 2.4 24.0 1.0 OD1 B:ASP51 2.5 22.1 1.0 O B:HOH368 2.6 27.4 1.0 CG B:ASP51 2.6 25.4 1.0 CG B:ASP102 3.1 23.6 1.0 OD2 B:ASP102 3.2 23.6 1.0 C B:HIS103 3.4 21.4 1.0 CG B:ASP104 3.5 22.2 1.0 CG B:ASP56 3.6 23.4 1.0 CA B:CA202 3.6 22.6 1.0 O B:HOH301 3.8 35.2 1.0 CA B:ASP104 3.9 25.2 1.0 N B:ASP104 4.0 21.6 1.0 O B:HOH355 4.0 28.1 1.0 CB B:ASP51 4.1 23.8 1.0 CB B:ASP56 4.2 20.5 1.0 CB B:ASP104 4.3 23.0 1.0 N B:ASP56 4.3 19.6 1.0 OD2 B:ASP104 4.4 25.6 1.0 N B:HIS103 4.4 21.6 1.0 C B:ASP102 4.5 21.0 1.0 CA B:HIS103 4.5 22.3 1.0 OD1 B:ASP56 4.6 22.4 1.0 O B:ASP102 4.6 19.8 1.0 CB B:ASP102 4.6 19.6 1.0 CA B:ASP56 4.9 20.3 1.0

Calcium binding site 4 out of 4 in the The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Crystal Structure of Arabidopsis Thaliana CAR4 in Complex with Two Calcium Ions, Zn and Phopho Choline within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:22.6 occ:1.00 OD1 B:ASP51 2.2 22.1 1.0 OD2 B:ASP102 2.3 23.6 1.0 OD2 B:ASP110 2.4 26.9 1.0 OD1 B:ASP104 2.4 22.6 1.0 O B:ARG50 2.5 24.4 1.0 OD2 B:ASP104 2.5 25.6 1.0 CG B:ASP104 2.8 22.2 1.0 O B:HOH371 3.0 36.0 1.0 CG B:ASP51 3.4 25.4 1.0 C B:ARG50 3.4 26.5 1.0 CG B:ASP110 3.5 29.7 1.0 CG B:ASP102 3.5 23.6 1.0 CA B:CA201 3.6 23.4 1.0 N B:ASP51 4.0 28.9 1.0 OD1 B:ASP102 4.1 24.0 1.0 CB B:ASP110 4.1 24.7 1.0 CA B:ASP51 4.1 28.9 1.0 OD2 B:ASP51 4.2 25.8 1.0 CB B:ARG50 4.2 23.4 1.0 CB B:ASP51 4.3 23.8 1.0 CB B:ASP104 4.3 23.0 1.0 CA B:ARG50 4.4 25.7 1.0 O B:HOH374 4.4 45.1 1.0 OD1 B:ASP110 4.5 31.9 1.0 CB B:ASP102 4.7 19.6 1.0 O B:ASP102 4.8 19.8 1.0 O B:HOH368 4.9 27.4 1.0 N B:ASP110 4.9 23.6 1.0

M.Diaz, M.J.Sanchez-Barrena, J.M.Gonzalez-Rubio, L.Rodriguez, D.Fernandez, R.Antoni, C.Yunta, B.Belda-Palazon, M.Gonzalez-Guzman, M.Peirats-Llobet, M.Menendez, J.Boskovic, J.A.Marquez, P.L.Rodriguez, A.Albert. Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling. Proc.Natl.Acad.Sci.Usa V. 113 E396 2016.
ISSN: ISSN 0027-8424
PubMed: 26719420
DOI: 10.1073/PNAS.1512779113