Calcium in PDB 3ehj: Crystal Structure of Deskc-H188V in Complex with Amp-Pcp

All present enzymatic activity of Crystal Structure of Deskc-H188V in Complex with Amp-Pcp:
2.7.13.3;

The structure of Crystal Structure of Deskc-H188V in Complex with Amp-Pcp, PDB code: 3ehj was solved by D.Albanesi, P.M.Alzari, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.300, 34.300, 131.200, 90.00, 96.60, 90.00
R / Rfree (%)	19.8 / 24.2

The binding sites of Calcium atom in the Crystal Structure of Deskc-H188V in Complex with Amp-Pcp (pdb code 3ehj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Deskc-H188V in Complex with Amp-Pcp, PDB code: 3ehj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Deskc-H188V in Complex with Amp-Pcp


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 Deskc-H188V in Complex with Amp-Pcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:41.6 occ:1.00 O1A A:ACP1303 2.3 37.4 1.0 OE2 A:GLU289 2.3 53.7 1.0 O2B A:ACP1303 2.3 47.8 1.0 O3G A:ACP1303 2.3 53.7 1.0 OD1 A:ASN293 2.3 54.9 1.0 O1G A:ACP1303 2.7 63.6 1.0 PG A:ACP1303 2.9 68.0 1.0 CG A:ASN293 3.3 41.9 1.0 CD A:GLU289 3.3 44.7 1.0 PB A:ACP1303 3.5 58.6 1.0 ND2 A:ASN293 3.5 41.0 1.0 PA A:ACP1303 3.7 45.0 1.0 OE1 A:GLU289 3.8 45.8 1.0 O3A A:ACP1303 3.9 50.7 1.0 C3B A:ACP1303 4.0 59.7 1.0 O2G A:ACP1303 4.2 69.6 1.0 O A:HOH55 4.4 7.8 1.0 NE2 A:HIS297 4.4 64.6 1.0 CA A:GLY336 4.5 64.2 1.0 O5' A:ACP1303 4.5 49.5 1.0 CG A:GLU289 4.6 37.3 1.0 CB A:ASN293 4.7 40.1 1.0 N A:GLY336 4.7 70.3 1.0 O1B A:ACP1303 4.8 59.2 1.0 O2A A:ACP1303 4.9 36.2 1.0 CA A:ASN293 4.9 40.9 1.0 CG2 A:THR292 5.0 39.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Deskc-H188V in Complex with Amp-Pcp


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 Deskc-H188V in Complex with Amp-Pcp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1 b:36.7 occ:1.00 O1A B:ACP1303 2.2 28.2 1.0 O B:HOH19 2.3 36.1 1.0 OD1 B:ASN293 2.3 39.5 1.0 OE2 B:GLU289 2.3 41.7 1.0 O2B B:ACP1303 2.3 43.2 1.0 O3G B:ACP1303 2.3 46.2 1.0 CG B:ASN293 3.2 27.5 1.0 PG B:ACP1303 3.3 55.2 1.0 ND2 B:ASN293 3.4 28.4 1.0 O2G B:ACP1303 3.4 54.0 1.0 CD B:GLU289 3.4 34.1 1.0 PB B:ACP1303 3.5 55.3 1.0 PA B:ACP1303 3.5 38.5 1.0 O3A B:ACP1303 3.8 45.6 1.0 OE1 B:GLU289 4.0 36.2 1.0 C3B B:ACP1303 4.1 51.5 1.0 O5' B:ACP1303 4.3 38.4 1.0 CA B:GLY336 4.3 53.9 1.0 O B:HOH38 4.4 14.2 1.0 NE2 B:HIS297 4.4 44.4 1.0 N B:GLY336 4.5 59.4 1.0 CB B:ASN293 4.6 25.4 1.0 CG B:GLU289 4.6 27.7 1.0 O1G B:ACP1303 4.6 59.5 1.0 O1B B:ACP1303 4.8 56.5 1.0 O2A B:ACP1303 4.8 33.5 1.0 CA B:ASN293 4.9 24.9 1.0 CD2 B:HIS297 5.0 40.3 1.0

D.Albanesi, M.Martin, F.Trajtenberg, M.C.Mansilla, A.Haouz, P.M.Alzari, D.De Mendoza, A.Buschiazzo. Structural Plasticity and Catalysis Regulation of A Thermosensor Histidine Kinase Proc.Natl.Acad.Sci.Usa V. 106 16185 2009.
ISSN: ISSN 0027-8424
PubMed: 19805278
DOI: 10.1073/PNAS.0906699106