Chlorine in PDB 7bq0: X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization

Enzymatic activity of X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric 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-Fenofibric 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-Fenofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization, PDB code: 7bq0 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) 38.74 / 1.77
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.591, 100.618, 61.990, 90.00, 101.63, 90.00
R / Rfree (%) 19 / 21.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization (pdb code 7bq0). 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-Fenofibric Acid-SRC1 Coactivator Peptide Co-Crystals Obtained By Delipidation and Co-Crystallization, PDB code: 7bq0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7bq0

Go back to Chlorine Binding Sites List in 7bq0
Chlorine binding site 1 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric 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-Fenofibric 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:40.3
occ:1.00
 CL1 A:F5A501 0.0 40.3 1.0
C22 A:F5A501 1.8 36.8 1.0
C21 A:F5A501 2.7 31.6 1.0
C20 A:F5A501 2.7 37.3 1.0
H23 A:F5A501 2.8 38.0 1.0
H22 A:F5A501 2.8 44.8 1.0
CB A:LYS448 3.2 30.8 1.0
CA A:LYS448 3.4 36.1 1.0
CG A:LYS448 3.5 36.8 1.0
CB A:LEU456 3.8 39.4 1.0
C19 A:F5A501 4.0 34.8 1.0
C18 A:F5A501 4.0 33.0 1.0
CD A:LYS448 4.1 37.4 1.0
N A:LYS448 4.1 28.6 1.0
N A:LEU456 4.4 29.5 1.0
C17 A:F5A501 4.5 34.7 1.0
CD2 A:LEU456 4.6 36.5 1.0
C A:LYS448 4.7 38.3 1.0
CG A:LEU456 4.7 34.1 1.0
O A:ALA454 4.7 40.8 1.0
CA A:LEU456 4.7 33.6 1.0
H18 A:F5A501 4.7 39.6 1.0
H19 A:F5A501 4.7 41.8 1.0
O A:LYS448 4.8 32.9 1.0
O A:VAL444 4.9 31.0 1.0
C A:ALA455 4.9 36.9 1.0
C A:ILE447 4.9 31.1 1.0

Chlorine binding site 2 out of 4 in 7bq0

Go back to Chlorine Binding Sites List in 7bq0
Chlorine binding site 2 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric 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-Fenofibric 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:57.1
occ:1.00
 CL1 A:F5A502 0.0 57.1 1.0
C22 A:F5A502 1.8 49.8 1.0
C21 A:F5A502 2.7 42.1 1.0
C20 A:F5A502 2.7 41.5 1.0
H23 A:F5A502 2.7 50.5 1.0
H22 A:F5A502 2.9 49.7 1.0
CD1 A:LEU247 3.5 29.0 1.0
O A:HOH675 3.7 33.6 1.0
C19 A:F5A502 4.0 36.5 1.0
C18 A:F5A502 4.0 38.8 1.0
CD1 A:ILE241 4.1 32.6 1.0
CD1 A:ILE339 4.3 33.4 1.0
CG1 A:ILE272 4.4 28.5 1.0
C17 A:F5A502 4.5 40.4 1.0
CG2 A:ILE272 4.5 29.0 1.0
CA A:ILE272 4.6 26.4 1.0
H19 A:F5A502 4.7 43.8 1.0
CB A:ILE272 4.7 26.4 1.0
H18 A:F5A502 4.7 46.6 1.0
CG2 A:ILE241 5.0 29.4 1.0
CG A:LEU247 5.0 27.9 1.0

Chlorine binding site 3 out of 4 in 7bq0

Go back to Chlorine Binding Sites List in 7bq0
Chlorine binding site 3 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric 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-Fenofibric 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:42.0
occ:1.00
 CL1 C:F5A501 0.0 42.0 1.0
C22 C:F5A501 1.8 36.0 1.0
C21 C:F5A501 2.7 34.4 1.0
C20 C:F5A501 2.8 29.9 1.0
H23 C:F5A501 2.8 41.3 1.0
H22 C:F5A501 2.9 35.9 1.0
CG C:LYS448 3.3 39.7 1.0
CB C:LYS448 3.3 39.6 1.0
CA C:LYS448 3.5 34.1 1.0
CB C:LEU456 3.7 38.5 1.0
C19 C:F5A501 4.0 37.1 1.0
C18 C:F5A501 4.1 32.7 1.0
N C:LYS448 4.1 31.2 1.0
CD C:LYS448 4.2 39.6 1.0
CD2 C:LEU456 4.3 32.9 1.0
N C:LEU456 4.3 35.1 1.0
C17 C:F5A501 4.5 30.6 1.0
CG C:LEU456 4.6 31.4 1.0
O C:ALA454 4.6 45.9 1.0
CA C:LEU456 4.6 35.2 1.0
CE C:LYS448 4.7 43.5 1.0
C C:LYS448 4.7 36.4 1.0
H19 C:F5A501 4.7 44.5 1.0
H18 C:F5A501 4.8 39.3 1.0
O C:VAL444 4.9 32.2 1.0
C C:ILE447 4.9 34.4 1.0
C C:ALA455 4.9 39.4 1.0
O C:LYS448 4.9 40.6 1.0
CD1 C:LEU456 5.0 31.0 1.0

Chlorine binding site 4 out of 4 in 7bq0

Go back to Chlorine Binding Sites List in 7bq0
Chlorine binding site 4 out of 4 in the X-Ray Structure of Human Pparalpha Ligand Binding Domain-Fenofibric 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-Fenofibric 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:70.4
occ:1.00
 CL1 C:F5A502 0.0 70.4 1.0
C22 C:F5A502 1.8 52.6 1.0
C21 C:F5A502 2.7 50.0 1.0
C20 C:F5A502 2.7 49.8 1.0
H23 C:F5A502 2.8 60.0 1.0
H22 C:F5A502 2.8 59.8 1.0
CD1 C:LEU247 3.6 26.5 1.0
C19 C:F5A502 4.0 47.8 1.0
C18 C:F5A502 4.0 44.5 1.0
CD1 C:ILE241 4.3 30.6 1.0
CD1 C:ILE339 4.3 34.3 1.0
CG1 C:ILE272 4.3 27.1 1.0
CG2 C:ILE272 4.4 27.0 1.0
CA C:ILE272 4.5 26.1 1.0
C17 C:F5A502 4.5 48.6 1.0
CB C:ILE272 4.6 27.6 1.0
H19 C:F5A502 4.7 57.4 1.0
H18 C:F5A502 4.8 53.4 1.0
O C:ILE272 5.0 26.0 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: Sun Dec 13 10:24:29 2020

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