Magnesium in PDB 6pe6: PANK3 Complex Structure with Compound Pz-3022

All present enzymatic activity of PANK3 Complex Structure with Compound Pz-3022:
2.7.1.33;

The structure of PANK3 Complex Structure with Compound Pz-3022, PDB code: 6pe6 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)	36.13 / 1.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.800, 97.800, 69.284, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 22.4

The binding sites of Magnesium atom in the PANK3 Complex Structure with Compound Pz-3022 (pdb code 6pe6). 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 Structure with Compound Pz-3022, PDB code: 6pe6:

Magnesium binding site 1 out of 1 in the PANK3 Complex Structure with Compound Pz-3022


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of PANK3 Complex Structure with Compound Pz-3022 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:10.4 occ:1.00 O3G A:ANP402 2.0 11.4 1.0 O A:HOH546 2.1 10.1 1.0 O A:HOH535 2.1 11.1 1.0 O1B A:ANP402 2.1 8.1 1.0 O A:HOH553 2.2 11.9 1.0 O A:HOH560 2.2 10.0 1.0 PG A:ANP402 3.3 9.7 1.0 PB A:ANP402 3.3 8.5 1.0 N3B A:ANP402 3.7 9.8 1.0 O3A A:ANP402 3.8 5.8 1.0 O2G A:ANP402 4.0 12.2 1.0 OE1 A:GLU138 4.0 26.9 1.0 NZ A:LYS24 4.0 5.2 1.0 O A:HOH563 4.1 10.1 1.0 O2A A:ANP402 4.2 6.5 1.0 O A:HOH542 4.2 9.6 1.0 O A:HOH663 4.2 30.4 1.0 OD2 A:ASP17 4.3 10.0 1.0 O A:HOH586 4.3 16.4 1.0 OD1 A:ASP17 4.4 9.0 1.0 ND2 A:ASN189 4.5 11.7 1.0 O1G A:ANP402 4.5 13.8 1.0 CA A:GLY19 4.5 10.1 1.0 PA A:ANP402 4.5 5.9 1.0 O2B A:ANP402 4.6 7.3 1.0 CG A:ASP17 4.7 14.3 1.0 CD A:GLU138 4.9 27.2 1.0 CE A:LYS24 4.9 5.9 1.0 OD1 A:ASN189 5.0 15.0 1.0

C.Subramanian, M.Yun, L.K.Sharma, S.W.White, R.E.Lee, C.O.Rock, S.Jackowski. PANK3 Complex Structure with Compound Pz-3022 To Be Published.