Chlorine in PDB 5bx6: Pka in Complex with A Halogenated Phthalazinone Fragment Compound.

All present enzymatic activity of Pka in Complex with A Halogenated Phthalazinone Fragment Compound.:
2.7.11.11;

The structure of Pka in Complex with A Halogenated Phthalazinone Fragment Compound., PDB code: 5bx6 was solved by D.Narayanan, K.A.Alam, R.A.Engh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.17 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.349, 75.315, 80.480, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.8

The binding sites of Chlorine atom in the Pka in Complex with A Halogenated Phthalazinone Fragment Compound. (pdb code 5bx6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pka in Complex with A Halogenated Phthalazinone Fragment Compound., PDB code: 5bx6:

Chlorine binding site 1 out of 1 in the Pka in Complex with A Halogenated Phthalazinone Fragment Compound.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pka in Complex with A Halogenated Phthalazinone Fragment Compound. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:45.5 occ:0.35 CL A:495401 0.0 45.5 0.3 C8 A:495401 1.7 26.7 1.0 OG1 A:THR183 2.3 24.1 1.0 N2 A:495401 2.7 26.2 1.0 C5 A:495401 2.7 25.6 1.0 C4 A:495401 3.0 26.3 1.0 O A:HOH667 3.1 29.8 1.0 O A:HOH655 3.4 25.5 1.0 CB A:THR183 3.7 16.9 1.0 N1 A:495401 3.9 20.3 1.0 CG A:MET120 3.9 26.2 1.0 O A:HOH677 4.0 34.9 1.0 C6 A:495401 4.0 23.8 1.0 C3 A:495401 4.4 21.1 1.0 CG2 A:THR183 4.4 14.3 1.0 C7 A:495401 4.4 22.9 1.0 CB A:MET120 4.5 15.4 1.0 N A:ASP184 4.6 14.4 1.0 CG2 A:VAL57 4.7 13.5 1.0 CA A:THR183 4.7 14.3 1.0 CG1 A:VAL57 4.9 15.2 1.0 CE A:MET120 5.0 23.3 1.0

D.Narayanan, O.A.Gani, K.A.Alam, R.A.Engh. Pka Based Studies of Ligand Interactions with A Methionine Gatekeeper. To Be Published.