2025-04-05_00000186
|
ligand
|
9EV8
Non-uniform refinement of the CryoEM structure of DeCLIC nanodisc with 10mM calcium;
Electron microscopy 2.06Å
Protein #1
642 residues (90% resolved)
Raw Sequence ...
MHNLQQLLPTRSLIWIFSFLTSISIWCTVAHAETEGRVQHFTGYIEDGRGIFYSLPDMKQGDIIYASMQNTGGNLDPLVGIMAEEIDPAVSLGQVLEKALASENDLISELTAVADRIFLGWDDDGGKGYSASLEFTIPRDGTYHIFAGSTITNQRLDKFQPTYTTGSFQLILGLNAPQVISGEGEPEGEVFASLASLEIKPEAHVQELEIRLDKDTRYLTQHTRNLQPGDTFHALVEPIGEAPLPRLRLTDSGGKPLAFGLIDQPGESVELNYTCDQDICELVVHVDGTDGQKDSGEAVYRLLVGINAPNLRESGQTPVGSSVFLESDLVTVGLAVDQIVGVDQRSENFSVVGTLKLSWHDPKLGFSPDQCGCTVKSFEDASIRAVAGEINLPLPSFSFYNQQGNRWSQNQVIFVTPDGRASYFERFTVTLQAPDFDFLAYPFDRQKFSIKVDLAVPTNMFIFNEIERFQQVVGDQLGEEEWVVTSYSQEITEVPFERGSTNSRFTTTLLVKRNLEYYILRIFVPLFLIISVSWVIFFLKDYGRQLEVASGNLLVFVAFNFTISGDLPRLGYLTVLDRFMIVSFCLTAIVVLISVCQKRLGAVGKQAVAAQIDTWVLVIYPLVYSLYIIWVYLRFFTDHIGW
Canonical Sequence ...
MHNLQQLLPTRSLIWIFSFLTSISIWCTVAHAETEGRVQHFTGYIEDGRGIFYSLPDMKQGDIIYASMQNTGGNLDPLVGIMAEEIDPAVSLGQVLEKALASENDLISELTAVADRIFLGWDDDGGKGYSASLEFTIPRDGTYHIFAGSTITNQRLDKFQPTYTTGSFQLILGLNAPQVISGEGEPEGEVFASLASLEIKPEAHVQELEIRLDKDTRYLTQHTRNLQPGDTFHALVEPIGEAPLPRLRLTDSGGKPLAFGLIDQPGESVELNYTCDQDICELVVHVDGTDGQKDSGEAVYRLLVGINAPNLRESGQTPVGSSVFLESDLVTVGLAVDQIVGVDQRSENFSVVGTLKLSWHDPKLGFSPDQCGCTVKSFEDASIRAVAGEINLPLPSFSFYNQQGNRWSQNQVIFVTPDGRASYFERFTVTLQAPDFDFLAYPFDRQKFSIKVDLAVPTNMFIFNEIERFQQVVGDQLGEEEWVVTSYSQEITEVPFERGSTNSRFTTTLLVKRNLEYYILRIFVPLFLIISVSWVIFFLKDYGRQLEVASGNLLVFVAFNFTISGDLPRLGYLTVLDRFMIVSFCLTAIVVLISVCQKRLGAVGKQAVAAQIDTWVLVIYPLVYSLYIIWVYLRFFTDHIGW
Non polymer #2
C14
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
SMILES: CCCCCCCCCCCCCC
CCCCCCCCCCCCCC
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
D10
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
SMILES: CCCCCCCCCC
CCCCCCCCCC
Non polymer #5
D12
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
SMILES: CCCCCCCCCCCC
CCCCCCCCCCCC
Non polymer #6
OCT
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
SMILES: CCCCCCCC
CCCCCCCC
Non polymer #7
PX6
InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1
InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC
Biounit #1
homo-pentamer
Download coordinates
Tube
Model
Reference
100%