Manganese in PDB 6vve: Legionella Pneumophila LPG2603 Kinase Bound to IP6, MN2+, and Adp

The structure of Legionella Pneumophila LPG2603 Kinase Bound to IP6, MN2+, and Adp, PDB code: 6vve was solved by D.R.Tomchick, V.S.Tagliabracci, B.C.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.85 / 1.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.535, 77.073, 72.557, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 23.6

The binding sites of Manganese atom in the Legionella Pneumophila LPG2603 Kinase Bound to IP6, MN2+, and Adp (pdb code 6vve). 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 Legionella Pneumophila LPG2603 Kinase Bound to IP6, MN2+, and Adp, PDB code: 6vve:

Manganese binding site 1 out of 1 in the Legionella Pneumophila LPG2603 Kinase Bound to IP6, MN2+, and Adp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Legionella Pneumophila LPG2603 Kinase Bound to IP6, MN2+, and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:71.4 occ:1.00 O3B A:ADP402 2.4 40.3 1.0 H A:GLN101 2.5 94.8 1.0 O2A A:ADP402 2.6 25.6 1.0 HZ1 A:LYS114 2.6 25.6 1.0 HB2 A:GLN101 3.1 90.0 1.0 HA3 A:GLY99 3.2 53.7 1.0 HE3 A:LYS114 3.3 26.1 1.0 N A:GLN101 3.3 79.0 1.0 NZ A:LYS114 3.4 21.3 1.0 H A:GLY102 3.4 64.3 1.0 N A:GLY102 3.5 53.6 1.0 HZ2 A:LYS114 3.5 25.6 1.0 PB A:ADP402 3.5 42.1 1.0 H A:GLU100 3.6 75.5 1.0 C A:GLN101 3.7 73.7 1.0 PA A:ADP402 3.7 30.4 1.0 CA A:GLN101 3.7 73.8 1.0 CE A:LYS114 3.8 21.8 1.0 CB A:GLN101 3.8 75.0 1.0 O3A A:ADP402 3.9 32.4 1.0 N A:GLU100 3.9 63.0 1.0 O2B A:ADP402 3.9 44.2 1.0 CA A:GLY99 4.0 44.7 1.0 H A:GLY99 4.0 45.5 1.0 HE2 A:LYS114 4.0 26.1 1.0 HZ3 A:LYS114 4.1 25.6 1.0 HB3 A:GLN101 4.1 90.0 1.0 HA3 A:GLY102 4.1 53.7 1.0 C A:GLY99 4.1 43.8 1.0 CA A:GLY102 4.3 44.7 1.0 O1A A:ADP402 4.4 22.1 1.0 O A:GLN101 4.4 78.7 1.0 N A:GLY99 4.4 37.9 1.0 OD1 A:ASP225 4.4 18.2 1.0 C A:GLU100 4.4 73.7 1.0 O A:GLY102 4.5 48.9 1.0 HA A:GLN101 4.7 88.6 1.0 CA A:GLU100 4.7 68.6 1.0 HB2 A:GLU100 4.7 86.4 1.0 C A:GLY102 4.7 45.4 1.0 O A:HOH591 4.8 27.9 1.0 HA2 A:GLY99 4.8 53.7 1.0 O1B A:ADP402 4.9 46.2 1.0 H5'1 A:ADP402 4.9 36.6 1.0 O A:GLY99 5.0 50.3 1.0

A.Sreelatha, C.Nolan, B.C.Park, K.Pawlowski, D.R.Tomchick, V.S.Tagliabracci. A Legionella Effector Kinase Is Activated By Host Inositol Hexakisphosphate J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X