Structure of PDB 7xzh Chain C Binding Site BS01

Receptor Information
>7xzh Chain C (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 IDP5S
InChIInChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChIKeyTZCPCKNHXULUIY-RGULYWFUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC42 H82 N O10 P
NameO-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
phosphatidyl serine
ChEMBLCHEMBL4297669
DrugBankDB00144
ZINCZINC000085588270
PDB chain7xzh Chain B Residue 903 [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)
W23 F27 Y30
Binding residue
(residue number reindexed from 1)
W23 F27 Y30
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

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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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