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Chlorine in PDB 5jal: Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening
Enzymatic activity of Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening
All present enzymatic activity of Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening:
3.1.1.47;
3.1.1.47;
Protein crystallography data
The structure of Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening, PDB code: 5jal
was solved by
P.J.Day,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 28.90 / 2.06 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 99.663, 91.329, 51.422, 90.00, 111.79, 90.00 |
| R / Rfree (%) | 15.5 / 19.6 |
Other elements in 5jal:
The structure of Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
| Magnesium | (Mg) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening
(pdb code 5jal). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening, PDB code: 5jal:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening, PDB code: 5jal:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 5jal
Go back to
Chlorine Binding Sites List in 5jal
Chlorine binding site 1 out
of 2 in the Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 5jal
Go back to
Chlorine Binding Sites List in 5jal
Chlorine binding site 2 out
of 2 in the Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-Pla2) Discovered Through X-Ray Fragment Screening within 5.0Å range:
|
Reference:
A.J.Woolford,
J.E.Pero,
S.Aravapalli,
V.Berdini,
J.E.Coyle,
P.J.Day,
A.M.Dodson,
P.Grondin,
F.P.Holding,
L.Y.Lee,
P.Li,
E.S.Manas,
J.Marino,
A.C.Martin,
B.W.Mccleland,
R.L.Mcmenamin,
C.W.Murray,
C.E.Neipp,
L.W.Page,
V.K.Patel,
F.Potvain,
S.Rich,
R.A.Rivero,
K.Smith,
D.O.Somers,
L.Trottet,
R.Velagaleti,
G.Williams,
R.Xie.
Exploitation of A Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening. J.Med.Chem. V. 59 5356 2016.
ISSN: ISSN 0022-2623
PubMed: 27167608
DOI: 10.1021/ACS.JMEDCHEM.6B00212
Page generated: Fri Jul 26 09:52:56 2024
ISSN: ISSN 0022-2623
PubMed: 27167608
DOI: 10.1021/ACS.JMEDCHEM.6B00212
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