Structure of PDB 8qsl Chain C Binding Site BS01

Receptor Information
>8qsl Chain C (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 chain8qsl 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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PDB8qsl Cryo-EM structure of human SLC15A4 dimer in outward open state in LMNG
Resolution2.81 Å
Binding residue
(original residue number in PDB)		F417 A541 G544
Binding residue
(residue number reindexed from 1)		F380 A504 G507
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:8qsl, PDBe:8qsl, PDBj:8qsl
PDBsum8qsl
PubMed
UniProtQ8N697|S15A4_HUMAN Solute carrier family 15 member 4 (Gene Name=SLC15A4)

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