Magnesium in PDB 7ue3: PANK3 Complex Structure with Compound Pz-3804

All present enzymatic activity of PANK3 Complex Structure with Compound Pz-3804:
2.7.1.33;

The structure of PANK3 Complex Structure with Compound Pz-3804, PDB code: 7ue3 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)	32.14 / 1.56
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.198, 98.198, 69.169, 90, 90, 120
R / Rfree (%)	16.9 / 19.6

The binding sites of Magnesium atom in the PANK3 Complex Structure with Compound Pz-3804 (pdb code 7ue3). 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-3804, PDB code: 7ue3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the PANK3 Complex Structure with Compound Pz-3804


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-3804 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:14.1 occ:1.00 O3G A:ANP402 2.0 15.2 1.0 O A:HOH588 2.0 14.0 1.0 O1B A:ANP402 2.1 15.2 1.0 O A:HOH555 2.1 15.8 1.0 O A:HOH592 2.1 14.2 1.0 O A:HOH601 2.2 14.8 1.0 PG A:ANP402 3.3 15.7 1.0 PB A:ANP402 3.3 14.2 1.0 N3B A:ANP402 3.7 14.2 1.0 O3A A:ANP402 3.8 12.8 1.0 O A:HOH628 3.9 20.3 1.0 O2G A:ANP402 4.0 16.0 1.0 OE1 A:GLU138 4.0 18.2 1.0 O A:HOH566 4.1 16.4 1.0 NZ A:LYS24 4.1 12.9 1.0 O A:HOH580 4.1 14.9 1.0 O A:HOH623 4.2 17.5 1.0 O2A A:ANP402 4.2 13.9 1.0 OD2 A:ASP17 4.3 15.1 1.0 OD1 A:ASP17 4.3 16.0 1.0 ND2 A:ASN189 4.4 17.0 1.0 O1G A:ANP402 4.5 18.1 1.0 CA A:GLY19 4.5 15.9 1.0 PA A:ANP402 4.5 13.4 1.0 O2B A:ANP402 4.6 13.6 1.0 CG A:ASP17 4.7 16.0 1.0 CD A:GLU138 4.8 21.1 1.0 CE A:LYS24 5.0 13.4 1.0

Magnesium binding site 2 out of 2 in the PANK3 Complex Structure with Compound Pz-3804


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-3804 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:47.1 occ:1.00 O1B A:ANP403 1.8 44.0 0.7 O A:HOH560 1.9 48.9 1.0 O1G A:ANP403 2.0 40.0 0.7 O1A A:ANP403 2.5 49.0 0.7 PB A:ANP403 3.1 42.6 0.7 PG A:ANP403 3.3 33.5 0.7 PA A:ANP403 3.6 48.2 0.7 N3B A:ANP403 3.7 36.1 0.7 O3A A:ANP403 3.8 44.5 0.7 O5' A:ANP403 4.2 45.1 0.7 O2G A:ANP403 4.3 32.0 0.7 O2B A:ANP403 4.3 45.5 0.7 O3G A:ANP403 4.3 25.1 0.7 O2A A:ANP403 4.9 48.1 0.7

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.