Structure of PDB 7xzh Chain D Binding Site BS02

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 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 D Residue 901 [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)
A138 F142 F146 R148 L263 R266
Binding residue
(residue number reindexed from 1)
A115 F119 F123 R125 L186 R189
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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