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Atomistry » Calcium » PDB 5l0u-5lh8 » 5l2y | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Calcium » PDB 5l0u-5lh8 » 5l2y » |
Calcium in PDB 5l2y: Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic AcidEnzymatic activity of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid
All present enzymatic activity of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid:
3.4.21.21; Protein crystallography data
The structure of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid, PDB code: 5l2y
was solved by
A.Wei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5l2y:
The structure of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid
(pdb code 5l2y). 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 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid, PDB code: 5l2y: Calcium binding site 1 out of 1 in 5l2yGo back to Calcium Binding Sites List in 5l2y
Calcium binding site 1 out
of 1 in the Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,20-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6,8,10(21),16,19- Hexaen-7-Yl] Cyclobutane-1-Carboxylic Acid
Mono view Stereo pair view
Reference:
V.U.Ladziata,
P.W.Glunz,
Y.Zou,
X.Zhang,
W.Jiang,
S.Jacutin-Porte,
D.L.Cheney,
A.Wei,
J.M.Luettgen,
T.M.Harper,
P.C.Wong,
D.Seiffert,
R.R.Wexler,
E.S.Priestley.
Synthesis and P1' Sar Exploration of Potent Macrocyclic Tissue Factor-Factor Viia Inhibitors. Bioorg.Med.Chem.Lett. V. 26 5051 2016.
Page generated: Mon Jul 15 07:20:13 2024
ISSN: ESSN 1464-3405 PubMed: 27612545 DOI: 10.1016/J.BMCL.2016.08.088 |
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