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Calcium in PDB 5u6j: Factor Viia in Complex with the Inhibitor 3-{[(2R)-17-Ethyl-4-Methyl- 3,12-Dioxo-7-[(Propan-2-Yl)Sulfonyl]-13-Oxa-4,11- Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19-Hexaen-2- Yl]Amino}BenzamideEnzymatic activity of Factor Viia in Complex with the Inhibitor 3-{[(2R)-17-Ethyl-4-Methyl- 3,12-Dioxo-7-[(Propan-2-Yl)Sulfonyl]-13-Oxa-4,11- Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19-Hexaen-2- Yl]Amino}Benzamide
All present enzymatic activity of Factor Viia in Complex with the Inhibitor 3-{[(2R)-17-Ethyl-4-Methyl- 3,12-Dioxo-7-[(Propan-2-Yl)Sulfonyl]-13-Oxa-4,11- Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19-Hexaen-2- Yl]Amino}Benzamide:
3.4.21.21; Protein crystallography data
The structure of Factor Viia in Complex with the Inhibitor 3-{[(2R)-17-Ethyl-4-Methyl- 3,12-Dioxo-7-[(Propan-2-Yl)Sulfonyl]-13-Oxa-4,11- Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19-Hexaen-2- Yl]Amino}Benzamide, PDB code: 5u6j
was solved by
A.Wei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Calcium Binding Sites:
The binding sites of Calcium atom in the Factor Viia in Complex with the Inhibitor 3-{[(2R)-17-Ethyl-4-Methyl- 3,12-Dioxo-7-[(Propan-2-Yl)Sulfonyl]-13-Oxa-4,11- Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19-Hexaen-2- Yl]Amino}Benzamide
(pdb code 5u6j). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Factor Viia in Complex with the Inhibitor 3-{[(2R)-17-Ethyl-4-Methyl- 3,12-Dioxo-7-[(Propan-2-Yl)Sulfonyl]-13-Oxa-4,11- Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19-Hexaen-2- Yl]Amino}Benzamide, PDB code: 5u6j: Calcium binding site 1 out of 1 in 5u6jGo back to Calcium Binding Sites List in 5u6j
Calcium binding site 1 out
of 1 in the Factor Viia in Complex with the Inhibitor 3-{[(2R)-17-Ethyl-4-Methyl- 3,12-Dioxo-7-[(Propan-2-Yl)Sulfonyl]-13-Oxa-4,11- Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19-Hexaen-2- Yl]Amino}Benzamide
Mono view Stereo pair view
Reference:
N.R.Wurtz,
B.L.Parkhurst,
I.Delucca,
P.W.Glunz,
W.Jiang,
X.Zhang,
D.L.Cheney,
J.M.Bozarth,
A.R.Rendina,
A.Wei,
T.Harper,
J.M.Luettgen,
Y.Wu,
P.C.Wong,
D.A.Seiffert,
R.R.Wexler,
E.S.Priestley.
Neutral Macrocyclic Factor Viia Inhibitors. Bioorg. Med. Chem. Lett. V. 27 2650 2017.
Page generated: Sat Dec 12 05:45:39 2020
ISSN: ESSN 1464-3405 PubMed: 28460818 DOI: 10.1016/J.BMCL.2017.04.008 |
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