2026-06-27_00000213
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ligand
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9VMC
PEC4.0-(R)-1e;
X-ray diffraction 1.78Å
Protein #1
137 residues (97% resolved)
Raw Sequence ...
MGSIGEPNRLLC(PBF)SIYVTKKPDQSEEDHHNHVSKVNAPMMIPFLKKYGIVRYTVKHNDAYSKPKQAALMAGQPEEVVLAYDTVFEMIVKDIESIQTMQKDEEFLRTVIPDHFNFADKTRSKGSLTWIEEFTFALEHH
Canonical Sequence ...
MGSIGEPNRLLCFSIYVTKKPDQSEEDHHNHVSKVNAPMMIPFLKKYGIVRYTVKHNDAYSKPKQAALMAGQPEEVVLAYDTVFEMIVKDIESIQTMQKDEEFLRTVIPDHFNFADKTRSKGSLTWIEEFTFALEHH
Non polymer #2
A1ESS
InChI=1S/C16H20O2/c1-12-7-5-6-8-13(12)11-14(15(17)18)9-10-16(2,3)4/h5-8,10H,11H2,1-4H3,(H,17,18)/t9-/m0/s1
InChI=1S/C16H20O2/c1-12-7-5-6-8-13(12)11-14(15(17)18)9-10-16(2,3)4/h5-8,10H,11H2,1-4H3,(H,17,18)/t9-/m0/s1
SMILES: Cc1ccccc1CC(=C=CC(C)(C)C)C(=O)O
Cc1ccccc1CC(=C=CC(C)(C)C)C(=O)O
Biounit #1
homo-tetramer
Download coordinates
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Model
Reference
100%