Structure of PDB 8k77 Chain A Binding Site BS01

Receptor Information
>8k77 Chain A (length=592) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEAQRRKEREELAQQYEAILRECGHGRFQWTLYFVLGLALMADGVEVFVV
GFVLPSAEKDMCLSDSNKGMLGLIVYLGMMVGAFLWGGLADRLGRRQCLL
ISLSVNSVFAFFSSFVQGYGTFLFCRLLSGVGIGGSIPIVFSYFSEFLAQ
EKRGEHLSWLCMFWMIGGVYAAAMAWAIIPHYGWSFQMGSAYQFHSWRVF
VLVCAFPSVFAIGALTTQPESPRFFLENGKHDEAWMVLKQVHDTNMRAKG
HPERVFSVTHIKTIHQEQRWGVRALSLGGQVWGNFLSCFGPEYRRITLMM
MGVWFTMSFSYYGLTVWFPDMIRHLQAVDYASRTKVFPGERVEHVTFNFT
LENQIHRGGQYFNDKFIGLRLKSVSFEDSLFEECYFEDVTSSNTFFRNCT
FINTVFYNTDLFEYKFVNSRLINSTFLHNKEGCPLDVTGTGEGAYMVYFV
SFLGTLAVLPGNIVSALLMDKIGRLRMLAGSSVMSCVSCFFLSFGNSESA
MIALLCLFGGVSIASWNALDVLTVELYPSDKRTTAFGFLNALCKLAAVLG
ISIFTSFVGITKAAPILFASAALALGSSLALKLPETRGQVLQ
Ligand information
Ligand IDVLX
InChIInChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1
InChIKeyMSYKRHVOOPPJKU-BDAKNGLRSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1
OpenEye OEToolkits 2.0.7CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N
CACTVS 3.385CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1
OpenEye OEToolkits 2.0.7CCCC1CC(=O)N(C1)C(CC)C(=O)N
FormulaC11 H20 N2 O2
Name(2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide
ChEMBL
DrugBank
ZINC
PDB chain8k77 Chain A Residue 803 [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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PDB8k77 Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A
Resolution3.11 Å
Binding residue
(original residue number in PDB)		W300 Y461 W666 D670
Binding residue
(residue number reindexed from 1)		W164 Y311 W516 D520
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0019901 protein kinase binding
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006836 neurotransmitter transport
GO:0006874 intracellular calcium ion homeostasis
GO:0007268 chemical synaptic transmission
GO:0014052 regulation of gamma-aminobutyric acid secretion
GO:0016082 synaptic vesicle priming
GO:0055085 transmembrane transport
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0005911 cell-cell junction
GO:0008021 synaptic vesicle
GO:0016020 membrane
GO:0030425 dendrite
GO:0030672 synaptic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0031594 neuromuscular junction
GO:0042995 cell projection
GO:0043005 neuron projection
GO:0043025 neuronal cell body
GO:0045202 synapse
GO:0048786 presynaptic active zone
GO:0098793 presynapse
GO:0098978 glutamatergic synapse
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8k77, PDBe:8k77, PDBj:8k77
PDBsum8k77
PubMed38637505
UniProtQ7L0J3|SV2A_HUMAN Synaptic vesicle glycoprotein 2A (Gene Name=SV2A)

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