Chlorine in PDB 7wgp: X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization

Enzymatic activity of X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization

All present enzymatic activity of X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization:
2.3.1.48;

Protein crystallography data

The structure of X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization, PDB code: 7wgp was solved by S.Kamata, A.Honda, M.Akahane, Y.Machida, K.Uchii, Y.Shiiyama, R.Masuda, T.Oyama, I.Ishii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.72 / 2.53
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.161, 64.464, 124.171, 90, 90, 90
R / Rfree (%) 20.9 / 26.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization (pdb code 7wgp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization, PDB code: 7wgp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7wgp

Go back to Chlorine Binding Sites List in 7wgp
Chlorine binding site 1 out of 3 in the X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:66.3
occ:1.00
 CL1 A:F5A501 0.0 66.3 1.0
C22 A:F5A501 1.8 65.5 1.0
C20 A:F5A501 2.7 63.9 1.0
C21 A:F5A501 2.7 63.2 1.0
H22 A:F5A501 2.8 76.6 1.0
H23 A:F5A501 2.8 75.8 1.0
O A:ALA278 3.6 67.1 1.0
CB A:PHE360 3.7 66.0 1.0
CA A:ALA278 3.7 61.4 1.0
CD2 A:LEU356 3.8 55.2 1.0
CD1 A:PHE360 4.0 75.1 1.0
CB A:ILE281 4.0 66.8 1.0
C18 A:F5A501 4.0 64.7 1.0
C19 A:F5A501 4.0 68.7 1.0
CG2 A:ILE281 4.0 56.2 1.0
C A:ALA278 4.1 66.0 1.0
CG A:LEU356 4.2 49.0 1.0
CG A:PHE360 4.2 72.5 1.0
CB A:ALA278 4.2 70.9 1.0
CD1 A:ILE281 4.3 64.5 1.0
CB A:LEU356 4.5 55.6 1.0
C17 A:F5A501 4.5 68.7 1.0
CG1 A:ILE281 4.6 66.6 1.0
O A:PHE360 4.7 69.0 1.0
H18 A:F5A501 4.8 77.5 1.0
CA A:PHE360 4.8 67.9 1.0
H19 A:F5A501 4.8 82.4 1.0
N A:ALA278 4.8 62.4 1.0
C A:PHE360 4.8 72.3 1.0
O A:VAL277 4.9 66.3 1.0
N A:PHE282 4.9 54.8 1.0

Chlorine binding site 2 out of 3 in 7wgp

Go back to Chlorine Binding Sites List in 7wgp
Chlorine binding site 2 out of 3 in the X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:73.5
occ:1.00
 CL1 A:F5A502 0.0 73.5 1.0
C22 A:F5A502 1.8 71.7 1.0
C20 A:F5A502 2.7 74.5 1.0
C21 A:F5A502 2.8 76.7 1.0
H22 A:F5A502 2.8 89.3 1.0
H23 A:F5A502 2.9 92.0 1.0
O05 A:F5A503 3.5 78.8 1.0
CG2 A:ILE341 4.0 48.8 1.0
C18 A:F5A502 4.0 74.4 1.0
C19 A:F5A502 4.1 69.9 1.0
H15 A:F5A503 4.2 88.8 1.0
CG1 A:VAL339 4.2 55.0 1.0
SD A:MET348 4.3 74.8 1.0
CB A:MET348 4.5 54.6 1.0
C17 A:F5A502 4.6 71.2 1.0
CG A:MET348 4.6 68.8 1.0
C16 A:F5A503 4.6 80.8 1.0
CD2 A:LEU353 4.7 53.3 1.0
SG A:CYS285 4.7 70.1 1.0
H18 A:F5A502 4.7 89.2 1.0
H19 A:F5A502 4.8 83.8 1.0
CE A:MET364 4.8 50.0 1.0
CD1 A:LEU353 4.9 69.5 1.0
CG2 A:ILE281 4.9 56.2 1.0
C15 A:F5A503 5.0 74.0 1.0

Chlorine binding site 3 out of 3 in 7wgp

Go back to Chlorine Binding Sites List in 7wgp
Chlorine binding site 3 out of 3 in the X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Human Ppar Gamma Ligand Binding Domain-Fenofibric Acid Co-Crystals Obtained By Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:84.0
occ:1.00
 CL1 A:F5A503 0.0 84.0 1.0
C22 A:F5A503 1.8 77.0 1.0
C20 A:F5A503 2.7 84.4 1.0
C21 A:F5A503 2.8 70.0 1.0
H22 A:F5A503 2.8 101.2 1.0
H23 A:F5A503 2.9 84.0 1.0
OE2 A:GLU259 3.3 87.3 1.0
NH2 A:ARG280 3.4 98.6 1.0
CD2 A:LEU255 3.5 65.3 1.0
CD A:GLU259 3.7 95.1 1.0
CB A:GLU259 3.7 83.4 1.0
CG A:GLU259 4.0 84.7 1.0
C18 A:F5A503 4.1 76.6 1.0
C19 A:F5A503 4.1 67.5 1.0
OE1 A:GLU259 4.3 109.5 1.0
CB A:ARG280 4.5 78.2 1.0
C17 A:F5A503 4.6 72.3 1.0
CZ A:ARG280 4.6 91.0 1.0
CA A:GLU259 4.7 89.3 1.0
CE2 A:PHE264 4.7 76.9 1.0
H18 A:F5A503 4.8 91.8 1.0
H19 A:F5A503 4.8 81.0 1.0
CG A:LEU255 4.8 67.4 1.0
CD A:ARG280 4.8 85.5 1.0
N A:GLU259 5.0 78.1 1.0

Reference:

A.Honda, S.Kamata, M.Akahane, Y.Machida, K.Uchii, Y.Shiiyama, Y.Habu, S.Miyawaki, C.Kaneko, T.Oyama, I.Ishii. Functional and Structural Insights Into Human Ppar Alpha / Delta / Gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 35563117
DOI: 10.3390/IJMS23094726
Page generated: Tue Jul 30 05:38:34 2024

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