Chlorine in PDB 4lxb: Crystal Structure Analysis of Thrombin in Complex with Compound D58
Enzymatic activity of Crystal Structure Analysis of Thrombin in Complex with Compound D58
All present enzymatic activity of Crystal Structure Analysis of Thrombin in Complex with Compound D58:
3.4.21.5;
3.4.21.5;
Protein crystallography data
The structure of Crystal Structure Analysis of Thrombin in Complex with Compound D58, PDB code: 4lxb
was solved by
C.Stehlin-Gaon,
Z.Bocskei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 34.68 / 1.61 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 70.623, 71.274, 72.858, 90.00, 100.84, 90.00 |
| R / Rfree (%) | 19 / 22.8 |
Other elements in 4lxb:
The structure of Crystal Structure Analysis of Thrombin in Complex with Compound D58 also contains other interesting chemical elements:
| Fluorine | (F) | 2 atoms |
| Sodium | (Na) | 2 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure Analysis of Thrombin in Complex with Compound D58
(pdb code 4lxb). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure Analysis of Thrombin in Complex with Compound D58, PDB code: 4lxb:
In total only one binding site of Chlorine was determined in the Crystal Structure Analysis of Thrombin in Complex with Compound D58, PDB code: 4lxb:
Chlorine binding site 1 out of 1 in 4lxb
Go back to
Chlorine Binding Sites List in 4lxb
Chlorine binding site 1 out
of 1 in the Crystal Structure Analysis of Thrombin in Complex with Compound D58
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 Crystal Structure Analysis of Thrombin in Complex with Compound D58 within 5.0Å range:
|
Reference:
J.Meneyrol,
M.Follmann,
G.Lassalle,
V.Wehner,
G.Barre,
T.Rousseaux,
J.M.Altenburger,
F.Petit,
Z.Bocskei,
H.Schreuder,
N.Alet,
J.P.Herault,
L.Millet,
F.Dol,
P.Florian,
P.Schaeffer,
F.Sadoun,
S.Klieber,
C.Briot,
F.Bono,
J.M.Herbert.
5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl) Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3- Oxopropyl]Amide (SAR107375), A Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem. V. 56 9441 2013.
ISSN: ISSN 0022-2623
PubMed: 24175584
DOI: 10.1021/JM4005835
Page generated: Sat Dec 12 10:54:07 2020
ISSN: ISSN 0022-2623
PubMed: 24175584
DOI: 10.1021/JM4005835
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