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Chlorine in PDB 1zpc: Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide
Enzymatic activity of Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide
All present enzymatic activity of Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide:
3.4.21.27;
3.4.21.27;
Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide, PDB code: 1zpc
was solved by
H.Deng,
T.D.Bannister,
L.Jin,
P.Nagafuji,
C.A.Celatka,
J.Lin,
T.I.Lazarova,
M.J.Rynkiewicz,
J.Quinn,
F.Bibbins,
P.Pandey,
J.Gorga,
R.E.Babine,
H.V.Meyers,
S.S.Abdel-Meguid,
J.E.Strickler,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 28.55 / 2.60 |
| Space group | I 2 3 |
| Cell size a, b, c (Å), α, β, γ (°) | 121.119, 121.119, 121.119, 90.00, 90.00, 90.00 |
| R / Rfree (%) | n/a / n/a |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide
(pdb code 1zpc). 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 of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide, PDB code: 1zpc:
In total only one binding site of Chlorine was determined in the Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide, PDB code: 1zpc:
Chlorine binding site 1 out of 1 in 1zpc
Go back to
Chlorine Binding Sites List in 1zpc
Chlorine binding site 1 out
of 1 in the Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide
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 of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-Phenyl)-2-Hydroxy- Acetylamino]-N-[4-Guanidino-1-(Thiazole-2-Carbonyl)-Butyl]- 3-Methyl-Butyramide within 5.0Å range:
|
Reference:
H.Deng,
T.D.Bannister,
L.Jin,
R.E.Babine,
J.Quinn,
P.Nagafuji,
C.A.Celatka,
J.Lin,
T.I.Lazarova,
M.J.Rynkiewicz,
F.Bibbins,
P.Pandey,
J.Gorga,
H.V.Meyers,
S.S.Abdel-Meguid,
J.E.Strickler.
Synthesis, Sar Exploration, and X-Ray Crystal Structures of Factor Xia Inhibitors Containing An Alpha-Ketothiazole Arginine Bioorg.Med.Chem.Lett. V. 16 3049 2006.
ISSN: ISSN 0960-894X
PubMed: 16524727
DOI: 10.1016/J.BMCL.2006.02.052
Page generated: Sat Dec 12 08:57:22 2020
ISSN: ISSN 0960-894X
PubMed: 16524727
DOI: 10.1016/J.BMCL.2006.02.052
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