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

Protein crystallography data

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

Chlorine Binding Sites:

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 8hhp

Go back to Chlorine Binding Sites List in 8hhp
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 8hhp

Go back to Chlorine Binding Sites List in 8hhp
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

Reference:

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.
Page generated: Thu Dec 28 03:17:11 2023

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