Structure of PDB 8x91 Chain A Binding Site BS04

Receptor Information
>8x91 Chain A (length=1377) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVRKYAKKITEWPPFEYMILATIIANCIVLALEQHLPDDDKTPMSERLDD
TEPYFIGIFCFEAGIKIIALGFSYLRNGWNVMDFVVVLTGILATVGTEFD
LRTLRAVRVLRPLKLVSGIPSLQVVLKSIMKAMIPLLQIGLLLFFAILIF
AIIGLEFYMGKFHTTCFEEGTDDIQGESPAPCGTEEPARTCPNGTKCQPY
WEGPNNGITQFDNILFAVLTVFQCITMEGWTDLLYNSNDASGNTWNWLYF
IPLIIIGSFFMLNLVLGVLSGEFAKERERVENRRAFLKLRRQQQIERELN
GYMEWISKAEEVILASTFFHKKERRMRFYIRRMVKTQAFYWTVLSLVALN
TLCVAIVHYNQPEWLSDFLYYAEFIFLGLFMSEMFIKMYGLGTRPYFHSS
FNCFDCGVIIGSIFEVIWAVIKPGTSFGISVLRALRLLRIFKVTKYWASL
RNLVVSLLNSMKSIISLLFLLFLFIVVFALLGMQLFGGQFNFDEGTPPTN
FDTFPAAIMTVFQILTGEDWNEVMYDGIKSQGGVQGGMVFSIYFIVLTLF
GNYTLLNVFLAIAVDNLANAQELTKDEQEEEEAANQKLALQKAKEVAEVS
NQKPAKSVWEQRTSEMRKQNLLASNPLRRLCHYILNLRYFEMCILMVIAM
SSIALAAEDPVQPNAPRNNVLRYFDYVFTGVFTFEMVIKMIDLGLVLHQG
AYFRDLWNILDFIVVSGALVAFAFTGNSKGKDINTIKSLRVLRVLRPLKT
IKRLPKLKAVFDCVVNSLKNVFNILIVYMLFMFIFAVVAVQLFKGKFFHC
TDESKEFEKDCRGKYLLYEKNEVKARDREWKKYEFHYDNVLWALLTLFTV
STGEGWPQVLKHSVDATFENQGPSPGYRMEMSIFYVVYFVVFPFFFVNIF
VALIIITFQEQGDKMMEEYSLEKNERACIDFAISAKPLTRHMPQNKQSFQ
YRMWQFVVSPPFEYTIMAMIALNTIVLMMKFYGASVAYENALRVFNIVFT
SLFSLECVLKVMAFGILNYFRDAWNIFDFVTVLGSITDILVTEFGNNFIN
LSFLRLFRAARLIKLLRQGYTIRILLWTFVQSFKALPYVCLLIAMLFFIY
AIIGMQVFGNIGIDVEDEDSDEDEFQITEHNNFRTFFQALMLLFRSATGE
AWHNIMLSCLSGKPCDKNSGILTRECGNEFAYFYFVSFIFLCSFLMLNLF
VAVIMDNFEYLTRDSSILGPHHLDEYVRVWAEYDPAAWGRMPYLDMYQML
RHMSPPLGLGKKCPARVAYKRLLRMDLPVADDNTVHFNSTLMALIRTALD
IKIAKGGADKQQMDAELRKEMMAIWPNLSQKTLDLLVTPHKSTDLTVGKI
YAAMMIMEYYRQSKAKKLQAMREEQDR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8x91 Chain A Residue 2603 [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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PDB8x91 Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		E318 E667 E1459
Binding residue
(residue number reindexed from 1)		E228 E518 E854
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001540 amyloid-beta binding
GO:0005216 monoatomic ion channel activity
GO:0005245 voltage-gated calcium channel activity
GO:0005262 calcium channel activity
GO:0005515 protein binding
GO:0008331 high voltage-gated calcium channel activity
GO:0019905 syntaxin binding
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0006816 calcium ion transport
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007268 chemical synaptic transmission
GO:0050804 modulation of chemical synaptic transmission
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0098703 calcium ion import across plasma membrane
GO:1904645 response to amyloid-beta
GO:1904646 cellular response to amyloid-beta
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0005891 voltage-gated calcium channel complex
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex
GO:0042995 cell projection
GO:0043025 neuronal cell body
GO:0045202 synapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8x91, PDBe:8x91, PDBj:8x91
PDBsum8x91
PubMed38443561
UniProtO00555|CAC1A_HUMAN Voltage-dependent P/Q-type calcium channel subunit alpha-1A (Gene Name=CACNA1A)

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