Calcium in PDB 6jbd: Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway

All present enzymatic activity of Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway:
2.7.1.169;

The structure of Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway, PDB code: 6jbd was solved by A.Kita, A.Kishimoto, T.Shimosaka, H.Tomita, Y.Yokooji, T.Imanaka, H.Atomi, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.50
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.323, 95.323, 60.691, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 25.9

The structure of Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Calcium atom in the Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway (pdb code 6jbd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway, PDB code: 6jbd:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:50.7 occ:0.50 OE2 A:GLU21 2.4 33.8 1.0 O A:GLU21 2.7 36.7 1.0 O A:HOH559 3.6 47.2 1.0 CD A:GLU21 3.7 36.0 1.0 C A:GLU21 3.7 37.7 1.0 CA A:GLU21 4.0 38.5 1.0 CB A:GLU21 4.1 38.5 1.0 CG A:GLU21 4.5 36.0 1.0 OE1 A:GLU21 4.6 35.4 1.0 CD A:PRO23 4.8 40.2 1.0 N A:GLU22 4.9 40.1 1.0

Calcium binding site 2 out of 3 in the Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca409 b:65.5 occ:1.00 OD1 A:ASP266 2.7 47.6 1.0 OD2 A:ASP266 2.8 47.2 1.0 CG A:ASP266 3.2 48.6 1.0 O A:HOH561 3.3 47.3 1.0 OE2 A:GLU287 4.3 37.9 1.0 NZ A:LYS175 4.6 38.5 1.0 CB A:ASP266 4.7 49.2 1.0 OE1 A:GLU287 4.8 34.8 1.0 CD A:GLU287 5.0 34.8 1.0

Calcium binding site 3 out of 3 in the Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Phosphotransferase-Atp Complex Related to Coa Biosynthesis Pathway within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca410 b:36.5 occ:1.00 O A:HOH516 2.4 22.0 1.0 OD1 A:ASP94 2.4 25.2 1.0 O A:HOH512 2.5 34.4 1.0 O A:HOH537 2.6 45.0 1.0 O A:HOH518 2.9 25.6 1.0 CG A:ASP94 3.5 25.5 1.0 OD2 A:ASP94 3.9 23.9 1.0 ND2 A:ASN40 4.0 15.0 1.0 O A:HOH532 4.1 34.8 1.0 O A:PHE93 4.5 24.4 1.0 CB A:TYR92 4.6 18.6 1.0 O A:GLY38 4.6 26.3 1.0 C A:PHE93 4.7 22.4 1.0 O A:TYR92 4.7 22.9 1.0 CB A:ASP94 4.8 22.4 1.0 N A:ASP94 4.9 22.4 1.0 CA A:ASP94 4.9 23.0 1.0 C A:TYR92 4.9 19.9 1.0

A.Kita, A.Kishimoto, T.Shimosaka, H.Tomita, Y.Yokooji, T.Imanaka, H.Atomi, K.Miki. Crystal Structure of Phosphotransferase Related to Coa Biosynthesis Pathway To Be Published.