Structure of PDB 8qsk Chain A Binding Site BS01

Receptor Information
>8qsk Chain A (length=523) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGA
PFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLL
GMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVG
LGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAY
IQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILT
YSCCSQKRFDSCKMSHGGPFTEEKVEDVKALVKIVPVFLALIPYWTVYFQ
MQTTYVLQSLHLRIPEISNITTTPHTLPAAWLTMFDAVLILLLIPLKDKL
VDPILRRHGLLPSSLKRIAVGMFFVMCSAFAAGILESKRLNLVKEKTINQ
TIGNVVYHAADLSLWWQVPQYLLIGISEIFASIAGLEFAYSAAPKSMQSA
IMGLFFFFSGVGSFVGSGLLALVSIKAIGWMSSHTDFGNINGCYLNYYFF
LLAAIQGATLLLFLIISVKYDHH
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain8qsk Chain A Residue 601 [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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PDB8qsk Cryo-EM structure of human SLC15A4 dimer in outward open state in MSP1D1 nanodisc
Resolution3.3 Å
Binding residue
(original residue number in PDB)		A418 I421 L422 K425 W453
Binding residue
(residue number reindexed from 1)		A381 I384 L385 K388 W416
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005290 L-histidine transmembrane transporter activity
GO:0005515 protein binding
GO:0015293 symporter activity
GO:0015333 peptide:proton symporter activity
GO:0015647 peptidoglycan transmembrane transporter activity
GO:0022857 transmembrane transporter activity
GO:0071916 dipeptide transmembrane transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006857 oligopeptide transport
GO:0015031 protein transport
GO:0015817 histidine transport
GO:0015833 peptide transport
GO:0015835 peptidoglycan transport
GO:0033023 mast cell homeostasis
GO:0034157 positive regulation of toll-like receptor 7 signaling pathway
GO:0034161 positive regulation of toll-like receptor 8 signaling pathway
GO:0034165 positive regulation of toll-like receptor 9 signaling pathway
GO:0045087 innate immune response
GO:0045089 positive regulation of innate immune response
GO:0048302 regulation of isotype switching to IgG isotypes
GO:0055085 transmembrane transport
GO:0070424 regulation of nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway
GO:0070430 positive regulation of nucleotide-binding oligomerization domain containing 1 signaling pathway
GO:0070434 positive regulation of nucleotide-binding oligomerization domain containing 2 signaling pathway
GO:0089708 L-histidine transmembrane export from vacuole
GO:0140206 dipeptide import across plasma membrane
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0031901 early endosome membrane
GO:0035579 specific granule membrane
GO:0036020 endolysosome membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8qsk, PDBe:8qsk, PDBj:8qsk
PDBsum8qsk
PubMed
UniProtQ8N697|S15A4_HUMAN Solute carrier family 15 member 4 (Gene Name=SLC15A4)

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