2024-02-17_00000237
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ligand
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8QS0
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam;
X-ray diffraction 2.30Å
Protein #1
320 residues (85% resolved)
Raw Sequence ...
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
Canonical Sequence ...
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
Non polymer #2
WOX
InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1
InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1
SMILES: Cc1ccsc1C2=NO[C@]3(C2)CCCN(C3=O)Cc4c(cccc4F)F
Cc1ccsc1C2=NO[C@]3(C2)CCCN(C3=O)Cc4c(cccc4F)F
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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