Chlorine in PDB 7a3g: Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91

All present enzymatic activity of Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91:
3.4.14.5;

The structure of Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91, PDB code: 7a3g was solved by B.H.Ross, R.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.43 / 2.80
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	153.598, 153.598, 270.222, 90, 90, 120
R / Rfree (%)	20.9 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91 (pdb code 7a3g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91, PDB code: 7a3g:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl911 b:106.2 occ:1.00 OH B:TYR557 3.0 76.5 1.0 CZ B:TYR557 3.9 76.7 1.0 CE1 B:TYR557 3.9 77.0 1.0 CD1 B:PHE456 4.0 78.4 1.0 OE1 B:GLU465 4.1 109.1 1.0 CE1 B:PHE456 4.2 76.9 1.0 CG B:PHE456 4.5 77.3 1.0 CD B:ARG536 4.8 114.1 1.0 CZ B:PHE456 4.9 76.8 1.0 CB B:PHE456 5.0 80.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of DPP8 in Complex with A 4-Oxo-B-Lactam Based Inhibitor, 91 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1011 b:101.6 occ:1.00 OH A:TYR557 3.1 80.1 1.0 CD1 A:PHE456 4.0 74.4 1.0 CE1 A:TYR557 4.0 80.3 1.0 CZ A:TYR557 4.0 79.2 1.0 OE1 A:GLU465 4.1 111.0 1.0 CE1 A:PHE456 4.2 75.8 1.0 CG A:PHE456 4.4 73.9 1.0 CD A:ARG536 4.7 114.2 1.0 CZ A:PHE456 4.9 76.5 1.0 CB A:PHE456 4.9 76.5 1.0 CD A:GLU465 5.0 107.5 1.0

L.Fehr, L.A.R.Carvalho, B.H.Ross, K.Lum, A.C.Vieira, R.Kiefersauer, R.Geiss-Friedlander, M.Kaiser, T.Rodrigues, S.D.Lucas, B.F.Cravatt, R.Huber, R.Moreira. Discovery and Development of 4-Oxo-Beta-Lactams As Novel Inhibitors of Dipeptidyl Peptidases 8 and 9 To Be Published.