Structure of PDB 6e1o Chain B Binding Site BS02

Receptor Information
>6e1o Chain B (length=591) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NHHVDYVIRFNYGDIDTPEAIKKFEVLLLELSEVGLQTEVRQLFVFVRAA
SKKKLKRAVYQSRVRDWLYGVRNTEPEPASSAKPQSEAERLLVIYHLITV
PKITPRHGEWKNVDAIFPLHDEETNRQCMREWSKKTFLSTEDLDRIRNTF
GEHVGFYFAFLQSYFRFLMFPAAFGFSCWLLLGSFSIIYTVVNCLWCIVF
IEYWKRQEEDLSCRWQTKGVSAVHEKRAEFKPEKEIVFPATKRMYRQLLQ
VPFALLAAVALGAIIATCFAIEIFISEVYLKGYLVFIPTILVSALIPTMS
AVLLTVATKLNDYENYETQDAYKVALTQKIFVVNFITSYLPIILTAFVYV
PFASRIVPYLDVFEFSINPDRLRKQVIYFTVTAQIVGFALETIVPFVKQR
VFREYKEEARFLTRVRNEAELEDYDVTDDLREMCIQFGYLALFSPVWPLV
PVSFLINNWVELRSDFFKICVECKRPWPQRADTIGPWLDSLGFLSWVGSI
TSSALVYMFSNGHEGPTTIRCWALLLTIFFSEHLYLIVRYAVRSALAKLE
PPNTRRERIERFMMRKRYLDTFWMRQRGWKESAEVGLSLIT
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 chain6e1o 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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PDB6e1o Structural basis of Ca2+-dependent activation and lipid transport by a TMEM16 scramblase.
Resolution3.59 Å
Binding residue
(original residue number in PDB)		E445 E514 E543
Binding residue
(residue number reindexed from 1)		E391 E432 E461
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:6e1o, PDBe:6e1o, PDBj:6e1o
PDBsum6e1o
PubMed30648972
UniProtQ4WA18

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