Magnesium in PDB 6b3v: PANK3 Complex with Compound Pz-2891

All present enzymatic activity of PANK3 Complex with Compound Pz-2891:
2.7.1.33;

The structure of PANK3 Complex with Compound Pz-2891, PDB code: 6b3v 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)	32.36 / 1.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.874, 98.874, 69.117, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 19.5

The binding sites of Magnesium atom in the PANK3 Complex with Compound Pz-2891 (pdb code 6b3v). 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 Complex with Compound Pz-2891, PDB code: 6b3v:

Magnesium binding site 1 out of 1 in the PANK3 Complex with Compound Pz-2891


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of PANK3 Complex with Compound Pz-2891 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:18.4 occ:1.00 O2B A:ANP501 2.0 19.6 1.0 O3G A:ANP501 2.0 19.9 1.0 O A:HOH646 2.0 18.3 1.0 O A:HOH632 2.1 20.3 1.0 O A:HOH653 2.1 18.9 1.0 O A:HOH663 2.2 20.1 1.0 PB A:ANP501 3.3 18.0 1.0 PG A:ANP501 3.3 20.9 1.0 N3B A:ANP501 3.7 18.6 1.0 O3A A:ANP501 3.8 16.8 1.0 O2G A:ANP501 4.0 21.4 1.0 O A:HOH709 4.0 27.4 1.0 OE1 A:GLU138 4.0 27.9 1.0 O A:HOH642 4.1 21.7 1.0 NZ A:LYS24 4.1 17.1 1.0 O A:HOH631 4.1 19.6 1.0 O A:HOH686 4.2 25.1 1.0 O1A A:ANP501 4.2 17.6 1.0 OD2 A:ASP17 4.3 19.8 1.0 OD1 A:ASP17 4.3 22.1 1.0 ND2 A:ASN189 4.4 23.8 1.0 O1G A:ANP501 4.5 24.7 1.0 CA A:GLY19 4.5 20.5 1.0 O1B A:ANP501 4.5 17.9 1.0 PA A:ANP501 4.5 17.6 1.0 CG A:ASP17 4.7 19.7 1.0 CD A:GLU138 4.9 33.5 1.0 CE A:LYS24 4.9 18.9 1.0

L.K.Sharma, C.Subramanian, M.K.Yun, M.W.Frank, S.W.White, C.O.Rock, R.E.Lee, S.Jackowski. A Therapeutic Approach to Pantothenate Kinase Associated Neurodegeneration. Nat Commun V. 9 4399 2018.
ISSN: ESSN 2041-1723
PubMed: 30352999
DOI: 10.1038/S41467-018-06703-2