Chlorine in PDB 7uev: PANK3 Complex Structure with Compound Pz-4200

All present enzymatic activity of PANK3 Complex Structure with Compound Pz-4200:
2.7.1.33;

The structure of PANK3 Complex Structure with Compound Pz-4200, PDB code: 7uev 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)	40.03 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.233, 98.233, 69.096, 90, 90, 120
R / Rfree (%)	17.6 / 21.1

The structure of PANK3 Complex Structure with Compound Pz-4200 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the PANK3 Complex Structure with Compound Pz-4200 (pdb code 7uev). 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-4200, PDB code: 7uev:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the PANK3 Complex Structure with Compound Pz-4200


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-4200 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:33.5 occ:1.00 CL01 A:N0I401 0.0 33.5 1.0 C02 A:N0I401 1.8 29.8 1.0 N28 A:N0I401 2.6 34.5 1.0 C03 A:N0I401 2.7 29.5 1.0 N27 A:N0I401 3.9 32.7 1.0 C04 A:N0I401 4.0 28.7 1.0 C05 A:N0I401 4.4 29.3 1.0

Chlorine binding site 2 out of 2 in the PANK3 Complex Structure with Compound Pz-4200


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-4200 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:63.9 occ:1.00 NZ A:LYS135 3.1 40.4 1.0 N A:LYS135 3.1 28.6 1.0 O A:LEU133 3.5 45.6 1.0 CA A:HIS134 3.7 35.2 1.0 C A:HIS134 3.9 30.5 1.0 CB A:LYS135 4.0 31.2 1.0 CG A:LYS135 4.0 34.9 1.0 CA A:LYS135 4.1 31.1 1.0 CE A:LYS135 4.1 38.3 1.0 O A:LYS135 4.3 35.1 1.0 C A:LEU133 4.4 44.3 1.0 ND1 A:HIS134 4.4 49.3 1.0 N A:HIS134 4.5 39.0 1.0 CD A:LYS135 4.6 37.2 1.0 CB A:HIS134 4.6 40.2 1.0 C A:LYS135 4.7 32.6 1.0 NH2 A:ARG126 4.8 70.7 1.0 CG A:HIS134 5.0 47.9 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.