Manganese in PDB 5x1q: Ppka-294 with Atp and MNCL2

The structure of Ppka-294 with Atp and MNCL2, PDB code: 5x1q was solved by P.P.Li, T.T.Ran, D.Q.Xu, W.W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.898, 78.315, 59.188, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.2

The binding sites of Manganese atom in the Ppka-294 with Atp and MNCL2 (pdb code 5x1q). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Ppka-294 with Atp and MNCL2, PDB code: 5x1q:

Manganese binding site 1 out of 1 in the Ppka-294 with Atp and MNCL2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Ppka-294 with Atp and MNCL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:66.4 occ:1.00 O2B A:ATP401 2.3 41.9 1.0 O3G A:ATP401 2.3 44.7 1.0 O A:HOH734 2.5 48.8 1.0 O A:HOH501 2.6 45.4 1.0 PB A:ATP401 3.6 32.7 1.0 PG A:ATP401 3.7 46.6 1.0 O3B A:ATP401 4.1 38.6 1.0 O2A A:ATP401 4.4 24.0 1.0 O1B A:ATP401 4.4 32.5 1.0 NZ A:LYS127 4.5 41.1 1.0 O2G A:ATP401 4.6 38.5 1.0 O1G A:ATP401 4.8 49.7 1.0 O3A A:ATP401 4.8 31.0 1.0

P.P.Li, D.Q.Xu, T.Q.Ma, D.Y.Wang, W.D.Li, J.H.He, T.T.Ran, W.W.Wang. Crystal Structures of the Kinase Domain of Ppka, A Key Regulatory Component of T6SS, Reveal A General Inhibitory Mechanism. Biochem.J. V. 475 2209 2018.
ISSN: ESSN 1470-8728
PubMed: 29858276
DOI: 10.1042/BCJ20180077