Calcium in PDB 3v6i: Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution

The structure of Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution, PDB code: 3v6i was solved by A.G.Stewart, L.K.Lee, M.Donohoe, J.J.Chaston, D.Stock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.67 / 2.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.510, 208.690, 36.900, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.3

The structure of Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution (pdb code 3v6i). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution, PDB code: 3v6i:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:33.0 occ:0.70 O A:HOH334 2.5 10.5 1.0 OE1 A:GLN17 2.5 14.4 1.0 OE2 A:GLU13 2.6 20.2 1.0 O A:HOH336 2.6 12.7 1.0 CA A:CA204 3.3 47.2 0.5 CD A:GLN17 3.6 12.7 1.0 CD A:GLU13 3.7 15.0 1.0 CA A:CA202 3.8 32.0 0.7 NE2 A:GLN17 4.0 9.1 1.0 CG A:GLU13 4.5 8.1 1.0 NE2 A:GLN10 4.7 12.0 1.0 OE1 A:GLU13 4.7 12.6 1.0 O A:HOH335 4.8 15.2 1.0 CG A:GLN17 4.9 9.2 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:32.0 occ:0.70 O A:HOH335 2.5 15.2 1.0 OE2 A:GLU13 2.5 20.2 1.0 OE1 A:GLU13 2.7 12.6 1.0 CD A:GLU13 2.9 15.0 1.0 CA A:CA204 3.0 47.2 0.5 CA A:CA201 3.8 33.0 0.7 OE1 A:GLN10 4.2 23.0 1.0 CG A:GLU13 4.5 8.1 1.0 O A:HOH334 4.5 10.5 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:26.6 occ:0.80 OE1 A:GLU113 2.5 10.4 1.0 O A:HOH319 2.8 7.7 1.0 O A:HOH340 2.8 6.2 1.0 CD A:GLU113 3.7 10.2 1.0 CB A:GLU113 4.1 4.8 1.0 OE2 A:GLU113 4.5 12.8 1.0 CG A:GLU113 4.5 7.9 1.0 O A:GLU110 4.9 2.0 1.0 CG A:GLU110 5.0 2.9 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:47.2 occ:0.50 CA A:CA202 3.0 32.0 0.7 OE1 A:GLN10 3.3 23.0 1.0 CA A:CA201 3.3 33.0 0.7 NE2 A:GLN10 3.7 12.0 1.0 OE2 A:GLU13 3.8 20.2 1.0 CD A:GLN10 3.8 15.5 1.0 O A:HOH336 3.9 12.7 1.0 CD A:GLU13 4.5 15.0 1.0 OE1 A:GLU13 4.6 12.6 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the Peripheral Stalk of Thermus Thermophilus H+- Atpase/Synthase at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:29.6 occ:0.80 OE2 B:GLU117 2.5 24.9 1.0 OE1 B:GLU117 2.9 22.5 1.0 CD B:GLU117 3.0 19.7 1.0 NZ A:LYS181 4.3 8.8 1.0 CG B:GLU117 4.6 10.4 1.0 CE B:LYS116 4.6 23.3 1.0

A.G.Stewart, L.K.Lee, M.Donohoe, J.J.Chaston, D.Stock. The Dynamic Stator Stalk of Rotary Atpases Nat Commun V. 3 687 2012.
ISSN: ESSN 2041-1723
PubMed: 22353718
DOI: 10.1038/NCOMMS1693