Magnesium in PDB 5kq8: PANK3-Amppn Complex

All present enzymatic activity of PANK3-Amppn Complex:
2.7.1.33;

The structure of PANK3-Amppn Complex, PDB code: 5kq8 was solved by S.W.White, M.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.64 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.477, 98.477, 68.495, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.9

The binding sites of Magnesium atom in the PANK3-Amppn Complex (pdb code 5kq8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the PANK3-Amppn Complex, PDB code: 5kq8:

Magnesium binding site 1 out of 1 in the PANK3-Amppn Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of PANK3-Amppn Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:72.2 occ:1.00 O A:HOH528 2.1 47.2 1.0 O A:HOH511 2.1 64.5 1.0 O A:HOH502 2.1 47.7 1.0 O A:HOH527 2.2 40.0 1.0 O A:HOH525 2.2 38.9 1.0 O2B A:AN2401 2.3 35.8 1.0 PB A:AN2401 3.3 32.4 1.0 N3B A:AN2401 3.6 30.3 1.0 O A:HOH501 3.7 49.0 1.0 O3A A:AN2401 3.9 31.5 1.0 OE2 A:GLU138 4.0 87.2 1.0 O A:HOH522 4.1 44.5 1.0 O A:HOH540 4.1 45.5 1.0 NZ A:LYS24 4.1 29.1 1.0 O A:HOH552 4.2 65.0 1.0 ND2 A:ASN189 4.2 41.7 1.0 O1A A:AN2401 4.2 33.6 1.0 OD2 A:ASP17 4.4 37.7 1.0 OD1 A:ASP17 4.5 34.5 1.0 PA A:AN2401 4.6 32.5 1.0 O A:HOH536 4.6 46.2 1.0 O1B A:AN2401 4.6 30.3 1.0 CA A:GLY19 4.6 31.7 1.0 OD1 A:ASN189 4.9 37.2 1.0 CG A:ASP17 4.9 40.9 1.0 CG A:ASN189 5.0 40.3 1.0

C.Subramanian, M.K.Yun, J.Yao, L.K.Sharma, R.E.Lee, S.W.White, S.Jackowski, C.O.Rock. Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem. V. 291 22302 2016.
ISSN: ESSN 1083-351X
PubMed: 27555321
DOI: 10.1074/JBC.M116.748061