Structure of PDB 8uo8 Chain A Binding Site BS04

Receptor Information
>8uo8 Chain A (length=574) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEEQLAHQYETIMDECGHGRFQWILFFVLGLALMADGVEVFVVSFALPSA
EKDMCLSSSKKGMLGMIVYLGMMAGAFILGGLADKLGRKRVLSMSLAVNA
SFASLSSFVQGYGAFLFCRLISGIGIGGALPIVFAYFSEFLSREKRGEHL
SWLGIFWMTGGLYASAMAWSIIPHYGWGFSMGTNYHFHSWRVFVIVCALP
CTVSMVALKFMPESPRFLLEMGKHDEAWMILKQVHDTNMRAKGTPEKVFT
VSNIKTPFKTIFKQVWDNALYCVMGPYRMNTLILAVVWFAMAFSYYGLTV
WFPDMIRYFQDEEYKSKMKVFFGEHVYGATINFTMENQIHQHGKLVNDKF
TRMYFKHVLFEDTFFDECYFEDVTSTDTYFKNCTIESTIFYNTDLYEHKF
INCRFINSTFLEQKEGCHMDLEQDNDFLIYLVSFLGSLSVLPGNIISALL
MDRIGRLKMIGGSMLISAVCCFFLFFGNSESAMIGWQCLFCGTSIAAWNA
LDVITVELYPTNQRATAFGILNGLCKFGAILGNTIFASFVGITKVVPILL
AAASLVGGGLIALRLPETREQVLM
Ligand information
Ligand ID9Z9
InChIInChI=1S/C34H56O5/c1-22-9-15-34(38-19-22)23(2)31-30(39-34)18-29-27-8-7-25-17-26(37-16-12-24(20-35-5)21-36-6)10-13-32(25,3)28(27)11-14-33(29,31)4/h7,22-24,26-31H,8-21H2,1-6H3/t22-,23+,26+,27-,28+,29+,30+,31+,32+,33+,34-/m1/s1
InChIKeyCEEBZAXXSRFQIC-GZSGZGDASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC34C2C(OC1(OCC(CC1)C)C2C)CC3C5C(CC4)C6(C)C(=CC5)CC(CC6)OCCC(COC)COC
OpenEye OEToolkits 2.0.6C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(COC)COC)C)C)C)OC1
CACTVS 3.385COCC(CCO[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](C[CH]5O[C]6(CC[CH](C)CO6)[CH](C)[CH]45)[CH]3CC=C2C1)COC
OpenEye OEToolkits 2.0.6CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC)COC)C)C)C)OC1
CACTVS 3.385COCC(CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@H]45)[C@@H]3CC=C2C1)COC
FormulaC34 H56 O5
Name(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
ChEMBL
DrugBank
ZINC
PDB chain8uo8 Chain A Residue 707 [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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PDB8uo8 Structure of synaptic vesicle protein 2B with padsevonil
Resolution3.2 Å
Binding residue
(original residue number in PDB)		E234 L558
Binding residue
(residue number reindexed from 1)		E148 L449
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0006836 neurotransmitter transport
GO:0099509 regulation of presynaptic cytosolic calcium ion concentration
GO:2000300 regulation of synaptic vesicle exocytosis
Cellular Component
GO:0001669 acrosomal vesicle
GO:0005886 plasma membrane
GO:0008021 synaptic vesicle
GO:0016020 membrane
GO:0030672 synaptic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8uo8, PDBe:8uo8, PDBj:8uo8
PDBsum8uo8
PubMed38898101
UniProtQ7L1I2|SV2B_HUMAN Synaptic vesicle glycoprotein 2B (Gene Name=SV2B)

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