Calcium in PDB 7ns9: Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium

The structure of Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium, PDB code: 7ns9 was solved by M.S.Vogt, L.-O.Essen, A.Banerjee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 1.75
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.674, 60.674, 141.086, 90, 90, 90
R / Rfree (%)	18.9 / 23.5

The binding sites of Calcium atom in the Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium (pdb code 7ns9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium, PDB code: 7ns9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:33.2 occ:0.72 O5' A:3PO204 2.1 38.3 1.0 OE2 A:GLU135 2.2 39.8 1.0 OE2 A:GLU7 2.2 40.3 1.0 O3G A:3PO204 2.2 35.1 1.0 O1B A:3PO204 2.3 37.1 1.0 OE1 A:GLU135 2.4 34.0 1.0 CD A:GLU135 2.6 34.4 1.0 CD A:GLU7 3.1 47.5 1.0 PB A:3PO204 3.2 33.3 1.0 HZ3 A:LYS78 3.3 84.7 1.0 OE1 A:GLU7 3.3 46.6 1.0 PA A:3PO204 3.3 43.2 1.0 PG A:3PO204 3.4 33.1 1.0 HZ2 A:LYS9 3.4 58.6 1.0 O3B A:3PO204 3.5 36.0 1.0 HH22 A:ARG112 3.5 38.1 1.0 O3A A:3PO204 3.7 38.1 1.0 CA A:CA203 3.7 48.6 1.0 HE2 A:LYS78 3.8 64.1 1.0 HZ1 A:LYS9 3.8 58.6 1.0 NZ A:LYS78 3.9 70.5 1.0 O2A A:3PO204 3.9 40.7 1.0 HE3 A:LYS78 3.9 64.1 1.0 HZ1 A:LYS78 4.0 84.7 1.0 O A:HOH320 4.0 47.1 1.0 NZ A:LYS9 4.1 48.8 1.0 CG A:GLU135 4.1 40.4 1.0 CE A:LYS78 4.1 53.4 1.0 NH2 A:ARG112 4.3 31.7 1.0 O2G A:3PO204 4.3 36.3 1.0 HZ1 A:LYS69 4.3 48.1 1.0 CG A:GLU7 4.4 37.1 1.0 O1G A:3PO204 4.4 33.7 1.0 HZ2 A:LYS69 4.4 48.1 1.0 HG2 A:GLU135 4.5 48.6 1.0 HE2 A:TYR168 4.5 38.3 1.0 HG3 A:GLU7 4.5 44.1 1.0 O1A A:3PO204 4.5 46.6 1.0 HH21 A:ARG112 4.5 38.1 1.0 O2B A:3PO204 4.6 34.5 1.0 HB3 A:GLU135 4.6 37.1 1.0 HG3 A:GLU135 4.6 48.6 1.0 HZ3 A:LYS69 4.6 48.1 1.0 HZ3 A:LYS9 4.6 58.6 1.0 HE2 A:LYS9 4.7 56.1 1.0 NZ A:LYS69 4.7 40.0 1.0 HZ2 A:LYS78 4.7 84.7 1.0 OE2 A:GLU5 4.7 55.9 1.0 HH12 A:ARG112 4.7 40.3 1.0 CB A:GLU135 4.9 31.0 1.0 HG2 A:GLU7 4.9 44.1 1.0 HD2 A:TYR168 4.9 39.7 1.0 CE2 A:TYR168 4.9 31.8 1.0 CE A:LYS9 5.0 46.7 1.0

Calcium binding site 2 out of 2 in the Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Triphosphate Tunnel Metalloenzyme From Sulfolobus Acidocaldarius in Complex with Triphosphate and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:48.6 occ:1.00 OE1 A:GLU7 2.2 46.6 1.0 OE2 A:GLU5 2.3 55.9 1.0 O A:HOH320 2.4 47.1 1.0 O3G A:3PO204 2.4 35.1 1.0 O A:HOH330 2.5 45.1 1.0 OE1 A:GLU137 2.6 54.6 1.0 CD A:GLU7 3.3 47.5 1.0 CD A:GLU5 3.4 60.3 1.0 PG A:3PO204 3.5 33.1 1.0 CD A:GLU137 3.5 66.6 1.0 OE2 A:GLU7 3.7 40.3 1.0 CA A:CA202 3.7 33.2 0.7 HG3 A:GLU5 3.7 63.4 1.0 O A:HOH304 3.8 51.4 1.0 O2G A:3PO204 3.8 36.3 1.0 O1G A:3PO204 3.8 33.7 1.0 O A:HOH352 3.9 57.8 1.0 OE1 A:GLU135 3.9 34.0 1.0 OE2 A:GLU137 4.0 80.7 1.0 O A:HOH335 4.0 52.3 1.0 HB2 A:GLU137 4.1 51.7 1.0 CG A:GLU5 4.1 52.8 1.0 HB3 A:GLU7 4.2 46.0 1.0 OE1 A:GLU5 4.2 60.3 1.0 HH12 A:ARG112 4.4 40.3 1.0 HZ1 A:LYS69 4.4 48.1 1.0 HG2 A:GLU5 4.5 63.4 1.0 CG A:GLU7 4.6 37.1 1.0 CG A:GLU137 4.6 56.9 1.0 HG3 A:GLU137 4.7 68.4 1.0 HZ3 A:LYS69 4.8 48.1 1.0 CB A:GLU7 4.8 38.2 1.0 CB A:GLU137 4.8 43.4 1.0 O3B A:3PO204 4.9 36.0 1.0 HB2 A:GLU7 4.9 46.0 1.0 HG2 A:GLU7 4.9 44.1 1.0 CD A:GLU135 4.9 34.4 1.0 O A:HOH322 5.0 41.0 1.0 HH22 A:ARG112 5.0 38.1 1.0 NH1 A:ARG112 5.0 33.5 1.0

M.S.Vogt, R.R.Ngouoko Nguepbeu, M.K.F.Mohr, S.V.Albers, L.O.Essen, A.Banerjee. The Archaeal Triphosphate Tunnel Metalloenzyme Sattm Defines Structural Determinants For the Diverse Activities in the Cyth Protein Family. J.Biol.Chem. 00820 2021.
ISSN: ESSN 1083-351X
PubMed: 34029589
DOI: 10.1016/J.JBC.2021.100820