Structure of PDB 7xzh Chain D Binding Site BS04

Receptor Information
>7xzh Chain D (length=730) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIPVTELRYFADTQPAYRILKPWWDVFTDYISIVMLMIAVFGGTLQVTQD
KMICLPCKWVTKDSCNDSTGPTGIKYDLDRHQYNYVDAVCYENRLHWFAK
YFPYLVLLHTLIFLACSNFWFKFPRTSSKLEHFVSILLKCFDSPWTTRAL
SETVLDKKEGEQAKALFEKVKKFRTHVEEGDIVYRLYMRQTIIKVIKFIL
IICYTVYYVHNIKFDVDCTVDIESLTGYRTYRCAHPLATLFKILASFYIS
LVIFYGLICMYTLWWMLRRSLKKYSFESIREESSYSDIPDVKNDFAFMLH
LIDQYDPLYSKRFAVFLSEVSENKLRQLNLNNEWTLDKLRQRLTKNAQDK
LELHLFMLSGIPDTVFDLVELEVLKLELIPDVTIPPSIAQLTGLKELWLY
HTAAKIEAPALAFLRENLRALHIKFTDIKEIPLWIYSLKTLEELHLTGNL
SAENNRYIVIDGLRELKRLKVLRLKSNLSKLPQVVTDVGVHLQKLSINNE
GTKLIVLNSLKKMANLTELELIRCDLERIPHSIFSLHNLQEIDLKDNNLK
TIEEIISFQHLHRLTCLKLWYNHIAYIPIQIGNLTNLERLYLNRNKIEKI
PTQLFYCRKLRYLDLSHNNLTFLPADIGLLQNLQNLAITANRIETLPPEL
FQCRKLRALHLGNNVLQSLPSRVGELTNLTQIELRGNRLECLPVELGECP
LLKRSGLVVEEDLFNTLPPEVKERLWRADK
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7xzh Chain D Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7xzh cryo-EM structure of human LRRC8A
Resolution2.78 Å
Binding residue
(original residue number in PDB)		S323 F331
Binding residue
(residue number reindexed from 1)		S246 F254
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005225 volume-sensitive anion channel activity
GO:0005253 monoatomic anion channel activity
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0140360 cyclic-GMP-AMP transmembrane transporter activity
Biological Process
GO:0001678 intracellular glucose homeostasis
GO:0002329 pre-B cell differentiation
GO:0006820 monoatomic anion transport
GO:0006884 cell volume homeostasis
GO:0006970 response to osmotic stress
GO:0007283 spermatogenesis
GO:0015734 taurine transmembrane transport
GO:0015810 aspartate transmembrane transport
GO:0030154 cell differentiation
GO:0032024 positive regulation of insulin secretion
GO:0034214 protein hexamerization
GO:0034220 monoatomic ion transmembrane transport
GO:0045663 positive regulation of myoblast differentiation
GO:0055085 transmembrane transport
GO:0098656 monoatomic anion transmembrane transport
GO:0140361 cyclic-GMP-AMP transmembrane import across plasma membrane
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xzh, PDBe:7xzh, PDBj:7xzh
PDBsum7xzh
PubMed
UniProtQ8IWT6|LRC8A_HUMAN Volume-regulated anion channel subunit LRRC8A (Gene Name=LRRC8A)

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