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Chlorine in PDB 7bpy: X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization

Enzymatic activity of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization

All present enzymatic activity of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization:
2.3.1.48;

Protein crystallography data

The structure of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization, PDB code: 7bpy was solved by S.Kamata, R.Ishikawa, M.Akahane, T.Oyama, I.Ishii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.58 / 2.09
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.535, 101.646, 61.425, 90.00, 101.82, 90.00
R / Rfree (%) 19.3 / 21.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization (pdb code 7bpy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization, PDB code: 7bpy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7bpy

Go back to Chlorine Binding Sites List in 7bpy
Chlorine binding site 1 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and 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 Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:69.3
occ:1.00
 CL1 A:E0O501 0.0 69.3 1.0
C14 A:E0O501 1.8 50.1 1.0
C12 A:E0O501 2.8 44.8 1.0
C13 A:E0O501 2.8 45.1 1.0
H21 A:E0O501 2.8 53.7 1.0
H31 A:E0O501 2.8 54.1 1.0
NE2 A:GLN277 3.6 41.2 1.0
C10 A:E0O501 4.0 41.2 1.0
C11 A:E0O501 4.1 42.9 1.0
CG2 A:ILE447 4.1 46.7 1.0
CD1 A:LEU456 4.2 44.7 1.0
CB A:ALA454 4.2 49.1 1.0
O A:ALA454 4.2 55.2 1.0
C09 A:E0O501 4.6 40.0 1.0
CD A:GLN277 4.6 42.8 1.0
O A:ALA455 4.7 46.3 1.0
CB A:ILE447 4.8 43.2 1.0
H01 A:E0O501 4.8 49.4 1.0
C A:ALA454 4.8 48.0 1.0
H11 A:E0O501 4.8 51.4 1.0

Chlorine binding site 2 out of 4 in 7bpy

Go back to Chlorine Binding Sites List in 7bpy
Chlorine binding site 2 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and 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 Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:83.9
occ:1.00
 CL1 A:E0O502 0.0 83.9 1.0
C14 A:E0O502 1.8 66.8 1.0
C13 A:E0O502 2.8 64.6 1.0
C12 A:E0O502 2.8 55.0 1.0
H31 A:E0O502 2.8 77.5 1.0
H21 A:E0O502 2.9 66.0 1.0
CE2 A:TYR334 3.7 43.2 1.0
CA A:ALA333 3.8 32.0 1.0
C11 A:E0O502 4.1 61.8 1.0
C10 A:E0O502 4.1 56.1 1.0
CZ A:TYR334 4.1 44.0 1.0
OH A:TYR334 4.1 43.4 1.0
CB A:ALA333 4.3 30.2 1.0
O A:HOH620 4.3 34.5 1.0
CD2 A:TYR334 4.3 39.8 1.0
N A:ALA333 4.4 28.3 1.0
C09 A:E0O502 4.6 64.3 1.0
OG1 A:THR279 4.6 32.4 1.0
H11 A:E0O502 4.8 74.1 1.0
H01 A:E0O502 4.8 67.3 1.0
C A:ALA333 4.9 30.7 1.0
CE1 A:TYR334 5.0 41.9 1.0

Chlorine binding site 3 out of 4 in 7bpy

Go back to Chlorine Binding Sites List in 7bpy
Chlorine binding site 3 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and 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 Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:49.4
occ:1.00
 CL1 C:E0O501 0.0 49.4 1.0
C14 C:E0O501 1.8 37.8 1.0
C12 C:E0O501 2.7 32.2 1.0
C13 C:E0O501 2.7 39.0 1.0
H21 C:E0O501 2.8 38.6 1.0
H31 C:E0O501 2.8 46.8 1.0
CG2 C:ILE447 3.6 27.8 1.0
C10 C:E0O501 4.0 38.1 1.0
C11 C:E0O501 4.0 39.3 1.0
CD1 C:LEU456 4.3 35.7 1.0
CB C:ILE447 4.3 31.1 1.0
NE2 C:GLN277 4.4 32.8 1.0
CB C:ALA454 4.5 44.1 1.0
CG1 C:VAL444 4.5 31.1 1.0
C09 C:E0O501 4.5 32.9 1.0
CD1 C:ILE447 4.7 33.5 1.0
H01 C:E0O501 4.7 45.7 1.0
O C:VAL444 4.7 28.0 1.0
H11 C:E0O501 4.8 47.1 1.0
CG2 C:VAL444 5.0 26.9 1.0

Chlorine binding site 4 out of 4 in 7bpy

Go back to Chlorine Binding Sites List in 7bpy
Chlorine binding site 4 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Clofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:61.2
occ:1.00
 CL1 C:E0O502 0.0 61.2 1.0
C14 C:E0O502 1.8 61.9 1.0
C12 C:E0O502 2.8 53.1 1.0
C13 C:E0O502 2.8 54.2 1.0
H21 C:E0O502 2.8 63.7 1.0
H31 C:E0O502 2.8 65.0 1.0
C10 C:E0O502 4.0 54.4 1.0
C11 C:E0O502 4.1 54.1 1.0
CD1 C:ILE339 4.1 22.9 1.0
CG1 C:VAL332 4.2 29.8 1.0
CB C:CYS275 4.4 37.3 1.0
O C:ILE272 4.5 28.1 1.0
CB C:VAL332 4.6 31.5 1.0
C09 C:E0O502 4.6 61.4 1.0
CG2 C:ILE272 4.6 30.9 1.0
CG2 C:VAL332 4.6 28.9 1.0
SG C:CYS276 4.7 35.5 1.0
H01 C:E0O502 4.8 65.2 1.0
H11 C:E0O502 4.8 64.8 1.0
CD1 C:ILE241 4.9 28.8 1.0

Reference:

S.Kamata, T.Oyama, K.Saito, A.Honda, Y.Yamamoto, K.Suda, R.Ishikawa, T.Itoh, Y.Watanabe, T.Shibata, K.Uchida, M.Suematsu, I.Ishii. Ppar Alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience V. 23 01727 2020.
ISSN: ESSN 2589-0042
PubMed: 33205029
DOI: 10.1016/J.ISCI.2020.101727
Page generated: Mon Jul 29 19:19:09 2024

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