Calcium in PDB 8f8k: The Structure of RV2173 From M. Tuberculosis with Ipp Bound

The structure of The Structure of RV2173 From M. Tuberculosis with Ipp Bound, PDB code: 8f8k was solved by J.M.Johnston, T.M.Allison, J.Titterington, C.P.H.Beasley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.659, 82.692, 189.385, 90, 90, 90
R / Rfree (%)	20.8 / 23.9

The structure of The Structure of RV2173 From M. Tuberculosis with Ipp Bound also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the The Structure of RV2173 From M. Tuberculosis with Ipp Bound (pdb code 8f8k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Structure of RV2173 From M. Tuberculosis with Ipp Bound, PDB code: 8f8k:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the The Structure of RV2173 From M. Tuberculosis with Ipp Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of RV2173 From M. Tuberculosis with Ipp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:49.4 occ:1.00 O2B A:IPE405 2.2 69.2 1.0 OD2 A:ASP88 2.4 43.2 1.0 O A:HOH517 2.4 38.3 1.0 O A:HOH562 2.5 46.5 1.0 O A:HOH504 2.6 54.4 1.0 OD2 A:ASP84 2.6 42.8 1.0 O A:HOH577 3.0 68.3 1.0 O3A A:IPE405 3.2 62.7 1.0 PB A:IPE405 3.3 56.7 1.0 CG A:ASP88 3.5 38.4 1.0 CA A:CA410 3.7 47.4 1.0 CG A:ASP84 3.8 40.7 1.0 CB A:ASP88 4.2 35.4 1.0 NH2 A:ARG93 4.2 34.3 1.0 O3B A:IPE405 4.2 57.1 1.0 OD1 A:ASP84 4.2 37.2 1.0 OG A:SER90 4.4 39.3 1.0 O1B A:IPE405 4.4 66.4 1.0 NZ A:LYS260 4.5 56.0 1.0 OD1 A:ASP88 4.5 42.2 1.0 PA A:IPE405 4.7 66.3 1.0 OD1 A:ASP85 4.7 38.4 1.0 O1 A:IPE405 4.7 66.2 1.0 O A:ASP84 4.8 30.8 1.0 O A:HOH527 4.8 43.5 1.0 O A:HOH566 4.9 42.9 1.0 CE A:LYS260 5.0 53.5 1.0 CB A:ASP84 5.0 30.7 1.0

Calcium binding site 2 out of 3 in the The Structure of RV2173 From M. Tuberculosis with Ipp Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of RV2173 From M. Tuberculosis with Ipp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca409 b:61.7 occ:1.00 O A:HOH502 2.2 69.9 1.0 O1B A:IPE405 2.3 66.4 1.0 O A:HOH511 2.3 60.0 1.0 O A:HOH558 2.5 57.9 1.0 O A:HOH536 2.7 70.7 1.0 O A:HOH582 2.7 64.9 1.0 PB A:IPE405 3.5 56.7 1.0 O2A A:IPE405 3.6 65.1 1.0 O1A A:IPE405 3.7 74.0 1.0 PA A:IPE405 3.9 66.3 1.0 O3A A:IPE405 4.0 62.7 1.0 O3B A:IPE405 4.0 57.1 1.0 NZ A:LYS260 4.1 56.0 1.0 O A:ACT406 4.1 63.3 1.0 O1 A:GOL401 4.2 60.1 1.0 NE2 A:GLN233 4.2 63.9 1.0 O2 A:GOL401 4.5 60.7 1.0 O A:HOH586 4.5 72.9 1.0 OE1 A:GLN233 4.7 62.2 1.0 O A:HOH507 4.7 49.5 1.0 O2B A:IPE405 4.8 69.2 1.0 CE A:LYS260 4.8 53.5 1.0 CD A:LYS260 4.9 50.0 1.0 OD2 A:ASP236 4.9 71.2 1.0 C2 A:GOL401 5.0 60.4 1.0 CD A:GLN233 5.0 58.6 1.0

Calcium binding site 3 out of 3 in the The Structure of RV2173 From M. Tuberculosis with Ipp Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Structure of RV2173 From M. Tuberculosis with Ipp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca410 b:47.4 occ:1.00 O A:HOH566 2.3 42.9 1.0 O3B A:IPE405 2.3 57.1 1.0 OD2 A:ASP88 2.4 43.2 1.0 OD1 A:ASP84 2.5 37.2 1.0 O A:HOH552 2.5 43.8 1.0 O2B A:IPE405 2.7 69.2 1.0 OD1 A:ASP88 2.8 42.2 1.0 CG A:ASP88 2.9 38.4 1.0 PB A:IPE405 3.0 56.7 1.0 CG A:ASP84 3.3 40.7 1.0 OD2 A:ASP84 3.3 42.8 1.0 CA A:CA408 3.7 49.4 1.0 O3A A:IPE405 3.9 62.7 1.0 O A:HOH540 4.0 52.1 1.0 O A:HOH507 4.2 49.5 1.0 NZ A:LYS194 4.3 51.8 1.0 O1B A:IPE405 4.3 66.4 1.0 OE1 A:GLN170 4.4 42.7 1.0 CB A:ASP88 4.4 35.4 1.0 CB A:ASP84 4.7 30.7 1.0 O A:ASP84 4.8 30.8 1.0 NE2 A:GLN170 4.9 36.3 1.0 O2A A:IPE405 4.9 65.1 1.0 O A:HOH562 4.9 46.5 1.0 O A:HOH539 5.0 52.1 1.0 CE A:LYS260 5.0 53.5 1.0

J.M.Johnston, T.M.Allison, J.Titterington, C.P.H.Beasley. The Structure of RV2173 From M. Tuberculosis in Apo-, Ipp-, and Dmap-Bound Forms. To Be Published.