Structure of PDB 8tol Chain A Binding Site BS01

Receptor Information
>8tol Chain A (length=670) Species: 660122 (Fusarium vanettenii 77-13-4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESNFGVDFVIHYKVPAAERDEAEAGFVQLIRALTTVGLATEVRHGENESL
LVFVKVASPDLFAKQVYRARLGDWLHGVRVSAPHNDIAQALQDEPVVEAE
RLRLIYLMITKPHNEGGAGVTPTNAKWKHVESIFPLHSHSFNKEWIKKWS
SKYTLEQTDIDNIRDKFGESVAFYFAFLRSYFRFLVIPSAFGFGAWLLLG
QFSYLYALLCGLWSVVFFEYWKKQEVDLAVQWGVRGVSSIQQSRPEFEWE
HEAEDPITGEPVKVYPPMKRVKTQLLQIPFALACVVALGALIVTCNSLEV
FINEVYSGPGKQYLGFLPTIFLVIGTPTISGVLMGAAEKLNAMENYATVD
AHDAALIQKQFVLNFMTSYMALFFTAFVYIPFGHILHPFLNFWRATAQTL
TFSEKELPTREFQINPARISNQMFYFTVTAQIVNFATEVVVPYIKQQAFQ
KAKQLKEDHEEEAEFLQRVREECTLEEYDVSGDYREMVMQFGYVAMFSVA
WPLAACCFLVNNWVELRSDALKIAISSRRPIPWRTDSIGPWLTALSFLSW
LGSITSSAIVYLCSNSSPLKAWGLLLSILFAEHFYLVVQLAVRFVLSKLD
SPGLQKERKERFQTKKRLLQENSEKITREALEEEARGHGTPEEMFWQRQR
GMQETIEIGRRMIEQQLAAG
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 chain8tol Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tol Structural basis of closed groove scrambling by a TMEM16 protein.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		E452 D503 E506 E535 D539
Binding residue
(residue number reindexed from 1)		E438 D483 E486 E515 D519
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005254 chloride channel activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0032541 cortical endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8tol, PDBe:8tol, PDBj:8tol
PDBsum8tol
PubMed38684930
UniProtC7Z7K1

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