Structure of PDB 7rx2 Chain B Binding Site BS01

Receptor Information
>7rx2 Chain B (length=615) Species: 451804 (Aspergillus fumigatus A1163) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QENHHVDYVIRFNYGDIDTPEAIKKFEVLLLELSEVGLQTEVRQGDENSL
FVFVRAASKKKLKRAVYQSRVRDWLYGVRNTEPEPASSAKPQSEAERLLV
IYHLITVPKAEGGAGITPRHGEWKNVDAIFPLHDEETNRQCMREWSKKTF
LSTEDLDRIRNTFGEHVGFYFAFLQSYFRFLMFPAAFGFSCWLLLGSFSI
IYTVVNCLWCIVFIEYWKRQEEDLSCRWQTKGVSAVHEKRAEFKPEKEIR
VRGVFPATKRMYRQLLQVPFALLAAVALGAIIATCFAIEIFISEVYNGPL
KGYLVFIPTILVSALIPTMSAVLLTVATKLNDYENYETQDAYKVALTQKI
FVVNFITSYLPIILTAFVYVPFASRIVPYLDFSINPDRLRKQVIYFTVTA
QIVGFALETIVPFVKEDEARFLTRVRNEAELEDYDVTDDLREMCIQFGYL
ALFSPVWPLVPVSFLINNWVELRSDFFKICVECKRPWPQRADTIGPWLDS
LGFLSWVGSITSSALVYMFSNGHEGPNGEPTTIRCWALLLTIFFSEHLYL
IVRYAVRSALAKLEPPNTRRERIERFMMRKRYLDTVLSPTERFWMRQRGW
KESAEVGLSLITKAK
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 chain7rx2 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rx2 TMEM16 scramblases thin the membrane to enable lipid scrambling.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E445 D511 E514 E543 D547
Binding residue
(residue number reindexed from 1)		E408 D439 E442 E471 D475
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:7rx2, PDBe:7rx2, PDBj:7rx2
PDBsum7rx2
PubMed35562175
UniProtQ4WA18

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