Structure of PDB 8kcw Chain A Binding Site BS02

Receptor Information
>8kcw Chain A (length=626) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGADFDHVYSGVVNLSTENIYSFNYTSQPDQVTAVRVYVNSSSENLNYPV
LVVVRQQKEVLSWQVPLLFQGLYQRSYNYQEVSRTLCPSEATNETGPLQQ
LIFVDVASMAPLGAQYKLLVTKLKHFQLRTNVAFHFTASPSQPQYFLYKF
PKDVDSVIIKVVSEMAYPCSVVSVQNIMCPVYDLDHNVEFNGVYQSMTKK
AAITLQKKDFPGEQFFVVFVIKPEDYACGGSFQTWNLQRKKNLEVTIVPS
IKESVYVKSSLFSVFIFLSFYLGCLLVGFVHYYFWNIITIAVFYALPVIQ
LVITYQTVVNVTGNQDICYYNFLCAHPLGVLSAFNNILSNLGHVLLGFLF
LLIVLRRDILHRRALEAEYGIPKHFGLFYAMGIALMMEGVLSACYHVCPN
YSNFQFDTSFMYMIAGLCMLKLYQTRHPDINASAYSAYASFAVVIMVTVL
GVVFGKNDVWFWVIFSAIHVLASLALSTQIYMDRMVLLVVGNLVNWSFAL
FGLIYRPRDFASYMLGIFICNLLLYLAFYIIMKLRSSEKVLPVPLFCIVA
TAVMWAAALYFFFQNLSSWEGTPAESREKNRECILLDFFDDHDIWHFLSA
TALFFSFLVLLTLDDDLDVVRRDQIP
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8kcw Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8kcw Cryo-EM analysis reveals human SID-1 transmembrane family member 1 dynamics underlying lipid hydrolytic activity.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		Y579 M580 A599 S603 S607 F608
Binding residue
(residue number reindexed from 1)		Y412 M413 A432 S436 S440 F441
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8kcw, PDBe:8kcw, PDBj:8kcw
PDBsum8kcw
PubMed38811802
UniProtQ9NXL6|SIDT1_HUMAN SID1 transmembrane family member 1 (Gene Name=SIDT1)

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