Calcium in PDB 5djk: Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound

All present enzymatic activity of Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound:
3.1.3.11; 3.1.3.25; 3.1.3.7;

The structure of Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound, PDB code: 5djk was solved by A.J.Fisher, A.I.Erickson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.53 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.257, 58.225, 101.415, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 19

The structure of Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound (pdb code 5djk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound, PDB code: 5djk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:15.2 occ:1.00 OE2 A:GLU73 2.2 20.5 1.0 O A:LEU93 2.3 12.0 1.0 O A:HOH422 2.3 19.5 1.0 OD1 A:ASP91 2.4 14.4 1.0 O2 A:PO4304 2.4 18.6 1.0 O3 A:PO4304 2.5 22.0 1.0 OD2 A:ASP91 3.0 15.8 1.0 P A:PO4304 3.0 22.4 1.0 CG A:ASP91 3.0 12.9 1.0 C A:LEU93 3.3 13.3 1.0 CD A:GLU73 3.4 26.4 1.0 CA A:CA302 3.8 17.5 1.0 OE1 A:GLU73 4.0 42.0 1.0 CA A:ASP94 4.1 9.4 1.0 O4 A:PO4304 4.1 24.3 1.0 N A:ASP94 4.1 10.5 1.0 O1 A:PO4304 4.1 17.2 1.0 OG1 A:THR96 4.2 16.0 1.0 OE2 A:GLU74 4.2 24.1 1.0 N A:LEU93 4.3 10.2 1.0 O A:HOH416 4.3 25.9 1.0 CA A:LEU93 4.3 10.5 1.0 CG A:GLU73 4.5 19.2 1.0 OD1 A:ASP50 4.5 19.1 1.0 CB A:ASP91 4.5 11.2 1.0 CB A:GLU73 4.6 15.5 1.0 CB A:LEU93 4.8 8.8 1.0 CB A:ASP94 5.0 12.5 1.0

Calcium binding site 2 out of 2 in the Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of M. Tuberculosis Cysq, A Pap Phosphatase with PO4 and 2CA Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:17.5 occ:1.00 OD1 A:ASP212 2.2 20.3 1.0 O2 A:PO4304 2.2 18.6 1.0 OD2 A:ASP91 2.3 15.8 1.0 OD1 A:ASP94 2.3 16.5 1.0 O A:HOH416 2.5 25.9 1.0 O A:HOH574 2.5 24.3 1.0 CG A:ASP212 3.4 26.0 1.0 CG A:ASP94 3.4 15.5 1.0 CG A:ASP91 3.6 12.9 1.0 P A:PO4304 3.6 22.4 1.0 CA A:CA301 3.8 15.2 1.0 OD2 A:ASP212 3.9 28.9 1.0 CB A:ASP94 4.0 12.5 1.0 OE2 A:GLU73 4.0 20.5 1.0 O A:HOH441 4.0 37.0 1.0 O4 A:PO4304 4.0 24.3 1.0 CA A:ASP94 4.1 9.4 1.0 OD1 A:ASP91 4.3 14.4 1.0 CD1 A:TRP211 4.3 16.3 1.0 O1 A:PO4304 4.3 17.2 1.0 OE1 A:GLU73 4.5 42.0 1.0 OD2 A:ASP94 4.5 17.0 1.0 O A:HOH559 4.5 41.5 1.0 NE1 A:TRP211 4.5 15.7 1.0 CB A:ASP212 4.5 19.8 1.0 CD A:GLU73 4.6 26.4 1.0 CB A:ASP91 4.6 11.2 1.0 O3 A:PO4304 4.6 22.0 1.0 O A:HOH592 4.7 43.5 1.0 CA A:ASP212 4.8 16.2 1.0 O A:LEU93 4.8 12.0 1.0 N A:GLY95 4.8 13.6 1.0 C A:ASP94 5.0 12.8 1.0

A.I.Erickson, R.D.Sarsam, A.J.Fisher. Crystal Structures of Mycobacterium Tuberculosis Cysq, with Substrate and Products Bound. Biochemistry V. 54 6830 2015.
ISSN: ISSN 0006-2960
PubMed: 26512869
DOI: 10.1021/ACS.BIOCHEM.5B01000