Potassium in PDB 6qxa: Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc)

The structure of Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc), PDB code: 6qxa was solved by K.Vidilaseris, A.Goldman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.48 / 3.41
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.101, 141.594, 251.980, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 28.4

The structure of Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc) also contains other interesting chemical elements:

Magnesium	(Mg)	20 atoms
Sodium	(Na)	3 atoms

The binding sites of Potassium atom in the Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc) (pdb code 6qxa). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc), PDB code: 6qxa:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc) within 5.0Å range: probe atom residue distance (Å) B Occ A:K808 b:0.8 occ:1.00 O1 A:2PN806 2.7 0.0 1.0 O A:HOH901 2.8 87.3 1.0 OD1 A:ASN492 3.9 86.7 1.0 NZ A:LYS695 3.9 76.1 1.0 OD2 A:ASP236 4.1 0.3 1.0 P1 A:2PN806 4.1 0.1 1.0 MG A:MG805 4.2 71.4 1.0 CG A:ASP236 4.3 0.6 1.0 OD2 A:ASP696 4.4 97.0 1.0 OD1 A:ASP236 4.6 1.0 1.0 OD1 A:ASP696 4.6 92.7 1.0 O3 A:2PN806 4.7 91.6 1.0 N1 A:2PN806 4.7 87.2 1.0 OD1 A:ASP232 4.8 0.8 1.0 CB A:ALA495 4.9 80.5 1.0 CG A:ASP696 5.0 91.7 1.0

Potassium binding site 2 out of 3 in the Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc) within 5.0Å range: probe atom residue distance (Å) B Occ B:K808 b:0.1 occ:1.00 O3 B:2PN806 2.7 0.3 1.0 OD2 B:ASP236 3.3 0.6 1.0 CG B:ASP236 3.7 0.9 1.0 P1 B:2PN806 4.0 0.8 1.0 OD1 B:ASP236 4.0 0.8 1.0 ND2 B:ASN492 4.1 0.3 1.0 OD1 B:ASP232 4.1 0.8 1.0 NZ B:LYS695 4.1 85.7 1.0 O1 B:2PN806 4.1 0.9 1.0 CB B:ASP236 4.4 0.3 1.0 OD2 B:ASP696 4.4 92.4 1.0 OD1 B:ASP696 4.6 99.1 1.0 MG B:MG804 4.7 85.6 1.0 OD2 B:ASP465 4.8 98.7 1.0 CG B:PRO462 4.8 94.0 1.0 N1 B:2PN806 4.9 98.3 1.0 CG B:ASP696 5.0 95.6 1.0

Potassium binding site 3 out of 3 in the Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of Membrane Bound Pyrophosphatase From Thermotoga Maritima in Complex with Imidodiphosphate and N-[(2-Amino-6-Benzothiazolyl) Methyl]-1H-Indole-2-Carboxamide (Atc) within 5.0Å range: probe atom residue distance (Å) B Occ D:K808 b:92.5 occ:1.00 O3 D:2PN806 2.9 96.6 1.0 MG D:MG803 3.1 97.4 1.0 NZ D:LYS695 3.3 97.9 1.0 OD2 D:ASP236 3.5 0.3 1.0 OD1 D:ASN492 3.6 81.7 1.0 OD2 D:ASP696 3.8 0.0 1.0 O D:HOH904 3.9 73.0 1.0 CG D:ASP236 4.0 0.2 1.0 P1 D:2PN806 4.1 98.5 1.0 O1 D:2PN806 4.2 94.2 1.0 OD1 D:ASP236 4.2 0.3 1.0 CE D:LYS695 4.4 93.8 1.0 OD1 D:ASP696 4.5 0.2 1.0 OD1 D:ASP232 4.5 0.4 1.0 CG D:ASP696 4.6 99.6 1.0 MG D:MG805 4.6 95.5 1.0 CG D:ASN492 4.8 83.7 1.0 N1 D:2PN806 5.0 90.6 1.0

K.Vidilaseris, A.Kiriazis, A.Turku, A.Khattab, N.G.Johansson, T.O.Leino, P.S.Kiuru, G.Boije Af Gennas, S.Meri, J.Yli-Kauhaluoma, H.Xhaard, A.Goldman. Asymmetry in Catalysis Bythermotoga Maritimamembrane-Bound Pyrophosphatase Demonstrated By A Nonphosphorus Allosteric Inhibitor. Sci Adv V. 5 V7574 2019.
ISSN: ESSN 2375-2548
PubMed: 31131322
DOI: 10.1126/SCIADV.AAV7574