Magnesium in PDB 7uey: PANK3 Complex Structure with Compound Pz-4128

All present enzymatic activity of PANK3 Complex Structure with Compound Pz-4128:
2.7.1.33;

The structure of PANK3 Complex Structure with Compound Pz-4128, PDB code: 7uey was solved by S.W.White, M.Yun, R.E.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.28 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.545, 98.545, 68.939, 90, 90, 120
R / Rfree (%)	16.8 / 18.8

The structure of PANK3 Complex Structure with Compound Pz-4128 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the PANK3 Complex Structure with Compound Pz-4128 (pdb code 7uey). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the PANK3 Complex Structure with Compound Pz-4128, PDB code: 7uey:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the PANK3 Complex Structure with Compound Pz-4128


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-4128 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:13.4 occ:1.00 O3G A:ANP401 2.0 12.3 1.0 O1B A:ANP401 2.1 11.6 1.0 O A:HOH547 2.1 13.8 1.0 O A:HOH545 2.1 13.2 1.0 O A:HOH571 2.1 12.9 1.0 O A:HOH565 2.2 13.8 1.0 PG A:ANP401 3.3 14.2 1.0 PB A:ANP401 3.3 13.0 1.0 N3B A:ANP401 3.7 12.2 1.0 O3A A:ANP401 3.9 12.3 1.0 O1G A:ANP401 4.0 13.3 1.0 O A:HOH595 4.0 19.7 1.0 OE2 A:GLU138 4.0 19.2 1.0 NZ A:LYS24 4.1 11.6 1.0 O A:HOH550 4.1 17.4 1.0 O A:HOH599 4.1 18.4 1.0 O A:HOH576 4.2 14.4 1.0 O1A A:ANP401 4.2 12.6 1.0 OD2 A:ASP17 4.3 14.9 1.0 OD1 A:ASP17 4.3 14.5 1.0 ND2 A:ASN189 4.4 17.7 1.0 O2G A:ANP401 4.5 15.4 1.0 O2B A:ANP401 4.5 13.3 1.0 PA A:ANP401 4.6 12.1 1.0 CA A:GLY19 4.6 12.6 1.0 CD A:GLU138 4.6 21.0 1.0 CG A:ASP17 4.7 15.5 1.0 OD1 A:ASN189 4.8 18.9 1.0 O A:HOH641 4.9 30.7 1.0 CG A:GLU138 5.0 19.7 1.0 CE A:LYS24 5.0 12.3 1.0

Magnesium binding site 2 out of 2 in the PANK3 Complex Structure with Compound Pz-4128


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of PANK3 Complex Structure with Compound Pz-4128 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:60.8 occ:1.00 O1B A:ANP402 2.1 70.5 1.0 O1G A:ANP402 2.1 60.8 1.0 O2A A:ANP402 2.7 80.5 1.0 O A:HOH601 3.3 49.1 1.0 PB A:ANP402 3.3 72.0 1.0 PG A:ANP402 3.5 52.5 1.0 O A:HOH677 3.8 57.4 1.0 PA A:ANP402 3.8 78.0 1.0 O3A A:ANP402 3.9 77.7 1.0 N3B A:ANP402 3.9 66.2 1.0 O3G A:ANP402 4.4 51.7 1.0 O5' A:ANP402 4.5 76.0 1.0 O2G A:ANP402 4.5 47.2 1.0 NZ A:LYS135 4.6 23.1 1.0 O2B A:ANP402 4.6 72.0 1.0 O A:HOH679 4.7 55.1 1.0

R.Tangallapally, A.Edwards, C.Subramanian, L.K.Sharma, M.Yun, S.W.White, S.Jackowski, C.O.Rock, R.E.Lee. Discovery of Hpank Activators with Improved Pharmacological Properties To Be Published.