Chlorine in PDB 7uex: PANK3 Complex Structure with Compound Pz-4127

All present enzymatic activity of PANK3 Complex Structure with Compound Pz-4127:
2.7.1.33;

The structure of PANK3 Complex Structure with Compound Pz-4127, PDB code: 7uex 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)	48.95 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.907, 97.907, 68.907, 90, 90, 120
R / Rfree (%)	18 / 21.1

The structure of PANK3 Complex Structure with Compound Pz-4127 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the PANK3 Complex Structure with Compound Pz-4127 (pdb code 7uex). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the PANK3 Complex Structure with Compound Pz-4127, PDB code: 7uex:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the PANK3 Complex Structure with Compound Pz-4127


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PANK3 Complex Structure with Compound Pz-4127 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:39.3 occ:1.00 CL01 A:MZI402 0.0 39.3 1.0 C02 A:MZI402 1.8 36.4 1.0 N30 A:MZI402 2.7 40.1 1.0 C03 A:MZI402 2.8 37.5 1.0 N29 A:MZI402 3.9 37.6 1.0 C04 A:MZI402 4.1 35.0 1.0 C05 A:MZI402 4.5 37.1 1.0

Chlorine binding site 2 out of 2 in the PANK3 Complex Structure with Compound Pz-4127


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PANK3 Complex Structure with Compound Pz-4127 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:74.5 occ:1.00 N A:LYS135 3.2 31.3 1.0 NZ A:LYS135 3.3 46.8 1.0 O A:LEU133 3.6 53.4 1.0 CA A:HIS134 3.6 38.4 1.0 C A:HIS134 3.9 37.7 1.0 CB A:LYS135 4.1 37.5 1.0 CG A:LYS135 4.2 47.4 1.0 CA A:LYS135 4.2 33.4 1.0 ND1 A:HIS134 4.2 61.2 1.0 CE A:LYS135 4.2 42.3 1.0 O A:LYS135 4.3 44.2 1.0 C A:LEU133 4.4 53.6 1.0 N A:HIS134 4.5 41.4 1.0 CB A:HIS134 4.6 49.6 1.0 NH2 A:ARG126 4.6 94.1 1.0 C A:LYS135 4.7 38.5 1.0 CG A:HIS134 4.8 62.1 1.0 CD A:LYS135 4.8 49.9 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.