Calcium in PDB 6sun: Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami

All present enzymatic activity of Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami:
2.7.1.230;

The structure of Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami, PDB code: 6sun was solved by G.P.Bourenkov, Y.A.Mokrushina, S.S.Terekhov, I.V.Smirnov, A.G.Gabibov, S.Altman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.37 / 1.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	126.640, 54.460, 64.630, 90.00, 113.28, 90.00
R / Rfree (%)	14.2 / 17.6

The binding sites of Calcium atom in the Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami (pdb code 6sun). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami, PDB code: 6sun:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:17.0 occ:1.00 OD2 A:ASP220 2.3 18.2 1.0 O2A A:ANP403 2.3 18.6 1.0 O A:HOH635 2.4 21.4 1.0 OD1 A:ASN208 2.4 17.2 1.0 O3G A:ANP403 2.4 21.5 1.0 O A:HOH661 2.4 19.7 1.0 O1G A:ANP403 2.6 23.1 1.0 PG A:ANP403 3.1 21.1 1.0 CG A:ASP220 3.3 18.0 1.0 CG A:ASN208 3.4 16.2 1.0 PA A:ANP403 3.7 17.8 1.0 ND2 A:ASN208 3.7 17.0 1.0 CB A:ASP220 3.9 16.9 1.0 CA A:CA402 4.0 19.6 1.0 N3B A:ANP403 4.1 22.0 1.0 O3A A:ANP403 4.3 19.6 1.0 O A:HOH688 4.3 27.2 1.0 OD1 A:ASP220 4.3 18.7 1.0 O A:HOH523 4.3 45.2 1.0 O2B A:ANP403 4.4 20.2 1.0 O2G A:ANP403 4.4 23.8 1.0 O1A A:ANP403 4.4 19.9 1.0 O A:HOH668 4.5 32.3 1.0 PB A:ANP403 4.5 20.3 1.0 OD2 A:ASP203 4.5 23.0 1.0 CE1 A:HIS205 4.5 19.4 1.0 O A:GLY207 4.6 18.0 1.0 NE2 A:HIS205 4.7 19.6 1.0 O A:HOH774 4.7 35.9 1.0 O3' A:ANP403 4.7 21.7 1.0 O5' A:ANP403 4.8 19.1 1.0 CB A:ASN208 4.8 15.9 1.0 O A:HOH501 4.8 26.0 1.0

Calcium binding site 2 out of 2 in the Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Amicoumacin Kinase Hamin in Complex with Amp-Pnp, CA2+ and Ami within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:19.6 occ:1.00 O1G A:ANP403 2.3 23.1 1.0 O A:HOH789 2.3 39.4 1.0 O2B A:ANP403 2.3 20.2 1.0 O A:HOH501 2.4 26.0 1.0 OD1 A:ASP220 2.5 18.7 1.0 OD2 A:ASP220 2.5 18.2 1.0 OD2 A:ASP222 2.5 18.7 0.5 OD2 A:ASP222 2.6 33.1 0.5 OD1 A:ASP222 2.7 28.8 0.5 CG A:ASP220 2.8 18.0 1.0 CG A:ASP222 3.0 27.4 0.5 CG A:ASP222 3.4 20.1 0.5 CB A:ASP222 3.5 18.8 0.5 PG A:ANP403 3.6 21.1 1.0 PB A:ANP403 3.6 20.3 1.0 CA A:CA401 4.0 17.0 1.0 N3B A:ANP403 4.0 22.0 1.0 NZ A:LYS53 4.1 19.4 1.0 O A:HOH592 4.2 41.1 1.0 CB A:ASP220 4.4 16.9 1.0 O A:HOH661 4.4 19.7 1.0 CB A:ASP222 4.4 22.8 0.5 OD2 A:ASP203 4.4 23.0 1.0 O2G A:ANP403 4.5 23.8 1.0 O2A A:ANP403 4.5 18.6 1.0 O3A A:ANP403 4.5 19.6 1.0 OD2 A:ASP223 4.5 28.2 1.0 O A:HOH786 4.5 40.1 1.0 OD1 A:ASP222 4.6 25.6 0.5 O1A A:ANP403 4.6 19.9 1.0 O3G A:ANP403 4.6 21.5 1.0 PA A:ANP403 4.7 17.8 1.0 ND2 A:ASN37 4.7 22.4 1.0 O1B A:ANP403 4.8 22.8 1.0 CA A:ASP222 4.9 18.9 0.5

S.S.Terekhov, Y.A.Mokrushina, A.S.Nazarov, A.Zlobin, A.Zalevsky, G.Bourenkov, A.Golovin, A.Belogurov Jr., I.A.Osterman, A.A.Kulikova, V.A.Mitkevich, H.J.Lou, B.E.Turk, M.Wilmanns, I.V.Smirnov, S.Altman, A.G.Gabibov. A Kinase Bioscavenger Provides Antibiotic Resistance By Extremely Tight Substrate Binding. Sci Adv V. 6 Z9861 2020.
ISSN: ESSN 2375-2548
PubMed: 32637600
DOI: 10.1126/SCIADV.AAZ9861