Structure of PDB 8tol Chain B Binding Site BS03

Receptor Information
>8tol Chain B (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 B Residue 802 [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)		N448 E452 E506 E535
Binding residue
(residue number reindexed from 1)		N434 E438 E486 E515
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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