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Fluorine in PDB 3h0a: Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist

Enzymatic activity of Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist

All present enzymatic activity of Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist, PDB code: 3h0a was solved by Z.Wang, A.Sudom, N.P.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.46 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 179.258, 53.825, 67.108, 90.00, 107.74, 90.00
R / Rfree (%) 24.6 / 34.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist (pdb code 3h0a). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist, PDB code: 3h0a:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3h0a

Go back to Fluorine Binding Sites List in 3h0a
Fluorine binding site 1 out of 3 in the Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F500

b:47.9
occ:1.00
F35 D:D30500 0.0 47.9 1.0
C32 D:D30500 1.3 43.6 1.0
F33 D:D30500 2.1 41.5 1.0
F34 D:D30500 2.2 42.9 1.0
C31 D:D30500 2.3 42.8 1.0
C29 D:D30500 2.8 41.1 1.0
CB D:GLU259 3.1 58.7 1.0
CA D:GLU259 3.4 58.8 1.0
C30 D:D30500 3.5 40.1 1.0
CD2 D:LEU255 3.6 32.8 1.0
CG D:GLU259 3.6 60.6 1.0
CD D:GLU259 3.9 63.6 1.0
OE1 D:GLU259 3.9 64.6 1.0
O D:LEU255 4.1 38.8 1.0
O D:GLU259 4.2 61.0 1.0
C27 D:D30500 4.2 35.4 1.0
C D:GLU259 4.2 59.9 1.0
O D:HOH59 4.3 45.4 1.0
N D:GLU259 4.4 56.6 1.0
CD1 D:LEU255 4.6 27.3 1.0
CD1 D:ILE262 4.6 62.4 1.0
C28 D:D30500 4.6 37.6 1.0
OE2 D:GLU259 4.6 63.1 1.0
CG D:LEU255 4.7 32.1 1.0
CG2 D:ILE262 4.8 65.7 1.0
C26 D:D30500 4.9 35.6 1.0
NH2 D:ARG280 5.0 37.5 1.0

Fluorine binding site 2 out of 3 in 3h0a

Go back to Fluorine Binding Sites List in 3h0a
Fluorine binding site 2 out of 3 in the Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F500

b:41.5
occ:1.00
F33 D:D30500 0.0 41.5 1.0
C32 D:D30500 1.3 43.6 1.0
F35 D:D30500 2.1 47.9 1.0
F34 D:D30500 2.2 42.9 1.0
C31 D:D30500 2.3 42.8 1.0
CD2 D:LEU255 3.0 32.8 1.0
C29 D:D30500 3.0 41.1 1.0
C30 D:D30500 3.3 40.1 1.0
CD1 D:LEU255 3.6 27.3 1.0
CG D:LEU255 3.8 32.1 1.0
NH2 D:ARG280 3.9 37.5 1.0
NE D:ARG280 4.1 34.0 1.0
CG1 D:ILE281 4.2 18.6 1.0
OE1 D:GLU259 4.3 64.6 1.0
C27 D:D30500 4.3 35.4 1.0
O D:HOH59 4.4 45.4 1.0
CG2 D:VAL277 4.4 28.5 1.0
CZ D:ARG280 4.4 38.2 1.0
C28 D:D30500 4.5 37.6 1.0
CB D:ARG280 4.6 23.2 1.0
CB D:GLU259 4.7 58.7 1.0
CD1 D:ILE281 4.7 21.2 1.0
CD D:GLU259 4.7 63.6 1.0
O D:LEU255 4.8 38.8 1.0
O D:VAL277 4.9 28.8 1.0
C26 D:D30500 4.9 35.6 1.0

Fluorine binding site 3 out of 3 in 3h0a

Go back to Fluorine Binding Sites List in 3h0a
Fluorine binding site 3 out of 3 in the Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (Pparg) and Retinoic Acid Receptor Alpha (Rxra) in Complex with 9-Cis Retinoic Acid, Co-Activator Peptide, and A Partial Agonist within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F500

b:42.9
occ:1.00
F34 D:D30500 0.0 42.9 1.0
C32 D:D30500 1.3 43.6 1.0
F33 D:D30500 2.2 41.5 1.0
F35 D:D30500 2.2 47.9 1.0
C31 D:D30500 2.3 42.8 1.0
C30 D:D30500 2.7 40.1 1.0
O D:HOH59 2.8 45.4 1.0
NE D:ARG280 3.5 34.0 1.0
C29 D:D30500 3.6 41.1 1.0
C28 D:D30500 4.0 37.6 1.0
CD D:GLU259 4.1 63.6 1.0
OE1 D:GLU259 4.2 64.6 1.0
CB D:ARG280 4.2 23.2 1.0
NH2 D:ARG280 4.2 37.5 1.0
OE2 D:GLU259 4.3 63.1 1.0
CD D:ARG280 4.4 28.4 1.0
CZ D:ARG280 4.4 38.2 1.0
CG D:GLU259 4.5 60.6 1.0
CB D:GLU259 4.6 58.7 1.0
C27 D:D30500 4.7 35.4 1.0
C26 D:D30500 4.9 35.6 1.0
CG D:ARG280 4.9 28.1 1.0
CD2 D:LEU255 4.9 32.8 1.0
O D:ARG280 5.0 24.6 1.0

Reference:

R.V.Connors, Z.Wang, M.Harrison, A.Zhang, M.Wanska, S.Hiscock, B.Fox, M.Dore, M.Labelle, A.Sudom, S.Johnstone, J.Liu, N.P.Walker, A.Chai, K.Siegler, Y.Li, P.Coward. Identification of A Ppardelta Agonist with Partial Agonistic Activity on Ppargamma. Bioorg.Med.Chem.Lett. V. 19 3550 2009.
ISSN: ISSN 0960-894X
PubMed: 19464171
DOI: 10.1016/J.BMCL.2009.04.151
Page generated: Mon Jul 14 16:42:15 2025

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