Structure of PDB 7rxg Chain A Binding Site BS05

Receptor Information
>7rxg Chain A (length=650) Species: 451804 (Aspergillus fumigatus A1163) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENHHVDYVIRFNYGDIDTPEAIKKFEVLLLELSEVGLQTEVRQGDENSLF
VFVRAASKKKLKRAVYQSRVRDWLYGVRNTEPEPASSAKPQSEAERLLVI
YHLITVPKAEGGAGITPRHGEWKNVDAIFPLHDEETNRQCMREWSKKTFL
STEDLDRIRNTFGEHVGFYFAFLQSYFRFLMFPAAFGFSCWLLLGSFSII
YTVVNCLWCIVFIEYWKRQEEDLSCRWQTKGVSAVHEKRAEFKPEKEIRD
ESTGEVRGVFPATKRMYRQLLQVPFALLAAVALGAIIATCFAIEIFISEV
YNGPLKGYLVFIPTILVSALIPTMSAVLLTVATKLNDYENYETQDAYKVA
LTQKIFVVNFITSYLPIILTAFVYVPFASRIVPYLDVFHLTVRPFVSKEH
AIKARTEFSINPDRLRKQVIYFTVTAQIVGFALETIVPFVKQRVFREYKE
YTDEDEARFLTRVRNEAELEDYDVTDDLREMCIQFGYLALFSPVWPLVPV
SFLINNWVELRSDFFKICVECKRPWPQRADTIGPWLDSLGFLSWVGSITS
SALVYMFSNGHEGPNGEPTTIRCWALLLTIFFSEHLYLIVRYAVRSALAK
LEPPNTRRERIERFMMRKRYLDTVLSPTERFWMRQRGWKESAEVGLSLIT
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 chain7rxg Chain A Residue 1104 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rxg TMEM16 scramblases thin the membrane to enable lipid scrambling.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		E445 E514 E543
Binding residue
(residue number reindexed from 1)		E434 E480 E509
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005245 voltage-gated calcium channel activity
GO:0005254 chloride channel activity
GO:0017128 phospholipid scramblase activity
Biological Process
GO:0017121 plasma membrane phospholipid scrambling
GO:0034220 monoatomic ion transmembrane transport
GO:0045332 phospholipid translocation
GO:0070588 calcium ion transmembrane transport
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:7rxg, PDBe:7rxg, PDBj:7rxg
PDBsum7rxg
PubMed35562175
UniProtQ4WA18

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