Chlorine in PDB 8hhp: Crystal Structure of Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175

The structure of Crystal Structure of Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175, PDB code: 8hhp was solved by H.Kojima, T.Itoh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.50 / 2.45
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.5, 60.5, 162.26, 90, 90, 90
R / Rfree (%)	21.4 / 28.6

The binding sites of Chlorine atom in the Crystal Structure of Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175 (pdb code 8hhp). 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 Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175, PDB code: 8hhp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175


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 Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:52.1 occ:1.00 CLAC A:NZA501 0.0 52.1 1.0 CAT A:NZA501 1.8 35.5 1.0 CAK A:NZA501 2.7 35.4 1.0 CAJ A:NZA501 2.8 29.3 1.0 CAI A:LRG502 3.1 42.1 1.0 CAE A:LRG502 3.4 33.6 1.0 O A:ARG288 3.6 31.0 1.0 CB A:ARG288 3.8 35.8 1.0 C A:ARG288 3.8 28.9 1.0 CAN A:NZA501 4.0 30.4 1.0 CAM A:NZA501 4.1 42.7 1.0 N A:SER289 4.1 28.6 1.0 CB A:ALA292 4.1 20.2 1.0 CAT A:LRG502 4.2 36.8 1.0 CG2 A:ILE326 4.3 15.6 1.0 CA A:SER289 4.3 28.2 1.0 CA A:ARG288 4.4 38.2 1.0 CAV A:NZA501 4.5 30.8 1.0 CAQ A:LRG502 4.6 33.3 1.0 CAF A:LRG503 4.7 31.4 1.0 CAJ A:LRG503 4.7 25.5 1.0 CAC A:LRG502 4.8 34.3 1.0 OAR A:LRG502 4.8 44.5 1.0 OG A:SER289 4.9 31.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175


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 Pparg-Lbd Complexed with Three Partial Agonists, One Ntzdpa and Two LT175 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:51.7 occ:1.00 CLAD A:NZA501 0.0 51.7 1.0 CAU A:NZA501 1.8 36.8 1.0 CAL A:NZA501 2.7 25.1 1.0 CAP A:NZA501 2.7 31.7 1.0 CD2 A:LEU353 3.5 22.4 1.0 CE1 A:PHE282 3.6 24.2 1.0 CG A:MET364 3.8 21.1 1.0 CG2 A:ILE281 3.8 21.7 1.0 CZ A:PHE282 3.9 26.0 1.0 CAZ A:NZA501 4.0 27.8 1.0 CAO A:NZA501 4.0 23.3 1.0 SD A:MET364 4.0 37.6 1.0 CAE A:LRG503 4.1 22.1 1.0 CD1 A:PHE282 4.2 32.4 1.0 CD1 A:LEU353 4.4 21.4 1.0 CAC A:LRG503 4.5 25.4 1.0 CBA A:NZA501 4.5 32.3 1.0 CG A:LEU353 4.6 22.3 1.0 CE2 A:PHE282 4.8 28.6 1.0 CE A:MET364 4.8 22.3 1.0 CB A:CYS285 4.9 39.0 1.0

H.Kojima, R.Yanagi, E.Higuchi, M.Yoshizawa, T.Shimodaira, M.Kumagai, D.Egawa, N.Ohashi, H.Ishida, K.Yamamoto, T.Itoh. Covalent Modifier Discovery By Hydrogen/Deuterium Exchange Mass Spectrometry (Hdx-Ms) To Be Published.