Structure of PDB 4wit Chain A Binding Site BS02

Receptor Information
>4wit Chain A (length=654) Species: 660122 (Fusarium vanettenii 77-13-4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVDFVIHYKVPAAERDEAEAGFVQLIRALTTVGLATEVRHGENESLLVFV
KVASPDLFAKQVYRARLGDWLHGVRVSAPHNDIAQALQDEPVVEAERLRL
IYLMITKPHNEWKHVESIFPLHSHSFNKEWIKKWSSKYTLEQTDIDNIRD
KFGESVAFYFAFLRSYFRFLVIPSAFGFGAWLLLGQFSYLYALLCGLWSV
VFFEYWKKQEVDLAVQWGVRGVSSIQQSRPEFEWEHEAEDPITGEPVKVY
PPMKRVKTQLLQIPFALACVVALGALIVTCNSLEVFINEVYSGPGKQYLG
FLPTIFLVIGTPTISGVLMGAAEKLNAMENYATVDAHDAALIQKQFVLNF
MTSYMALFFTAFVYIPFGHILHPFLNFWRATAQTLTFSEKELPTREFQIN
PARISNQMFYFTVTAQIVNFATEVVVPYIKQQAFQAEFLQRVREECTLEE
YDVSGDYREMVMQFGYVAMFSVAWPLAACCFLVNNWVELRSDALKIAISS
RRPIPWRTDSIGPWLTALSFLSWLGSITSSAIVYLCSNASPLKAWGLLLS
ILFAEHFYLVVQLAVRFVLSKLDSPGLQKERKERFQTKKRLLQENLGQDA
AAAPGIEHSEKITREALEEEARQASIEMFWQRQRGMQETIEIGRRMIEQQ
LAAG
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 chain4wit Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wit X-ray structure of a calcium-activated TMEM16 lipid scramblase.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		N448 F449 E452 E506 E535
Binding residue
(residue number reindexed from 1)		N419 F420 E423 E459 E488
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:4wit, PDBe:4wit, PDBj:4wit
PDBsum4wit
PubMed25383531
UniProtC7Z7K1

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