Magnesium in PDB 5kpr: PANK3-Amppnp-Pantothenate Complex

All present enzymatic activity of PANK3-Amppnp-Pantothenate Complex:
2.7.1.33;

The structure of PANK3-Amppnp-Pantothenate Complex, PDB code: 5kpr 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)	36.37 / 1.83
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.965, 98.965, 68.783, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.3

The binding sites of Magnesium atom in the PANK3-Amppnp-Pantothenate Complex (pdb code 5kpr). 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-Amppnp-Pantothenate Complex, PDB code: 5kpr:

Magnesium binding site 1 out of 1 in the PANK3-Amppnp-Pantothenate Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of PANK3-Amppnp-Pantothenate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:14.7 occ:1.00 O2B A:ANP402 2.0 14.1 1.0 O3G A:ANP402 2.0 15.9 1.0 O A:HOH553 2.1 14.8 1.0 O A:HOH521 2.1 14.2 1.0 O A:HOH581 2.1 14.5 1.0 O A:HOH559 2.1 15.0 1.0 PG A:ANP402 3.3 16.1 1.0 PB A:ANP402 3.3 15.0 1.0 N3B A:ANP402 3.7 16.8 1.0 O A:HOH565 3.8 20.8 1.0 O3A A:ANP402 3.9 11.6 1.0 OE2 A:GLU138 3.9 29.2 1.0 O2G A:ANP402 4.0 17.5 1.0 O A:HOH529 4.1 18.4 1.0 NZ A:LYS24 4.1 13.6 1.0 O A:HOH543 4.2 13.5 1.0 O A:HOH594 4.2 22.1 1.0 OD2 A:ASP17 4.2 17.3 1.0 O1A A:ANP402 4.2 12.8 1.0 ND2 A:ASN189 4.2 19.1 1.0 OD1 A:ASP17 4.3 16.3 1.0 O1G A:ANP402 4.5 16.9 1.0 CA A:GLY19 4.5 15.3 1.0 PA A:ANP402 4.6 12.7 1.0 O1B A:ANP402 4.6 14.2 1.0 CD A:GLU138 4.6 28.7 1.0 CG A:ASP17 4.7 17.8 1.0 O A:HOH544 4.8 32.6 1.0 CE A:LYS24 4.9 15.1 1.0 CG A:GLU138 5.0 29.1 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