Structure of PDB 8qsk Chain C Binding Site BS04
Receptor Information
>8qsk Chain C (length=523) Species:
9606
(Homo sapiens) [
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GARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGA
PFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLL
GMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVG
LGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAY
IQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILT
YSCCSQKRFDSCKMSHGGPFTEEKVEDVKALVKIVPVFLALIPYWTVYFQ
MQTTYVLQSLHLRIPEISNITTTPHTLPAAWLTMFDAVLILLLIPLKDKL
VDPILRRHGLLPSSLKRIAVGMFFVMCSAFAAGILESKRLNLVKEKTINQ
TIGNVVYHAADLSLWWQVPQYLLIGISEIFASIAGLEFAYSAAPKSMQSA
IMGLFFFFSGVGSFVGSGLLALVSIKAIGWMSSHTDFGNINGCYLNYYFF
LLAAIQGATLLLFLIISVKYDHH
Ligand information
Ligand ID
Y01
InChI
InChI=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
InChIKey
WLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
Software
SMILES
CACTVS 3.352
CC(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 1.6.1
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1
CC(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 3.352
CC(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
Formula
C31 H50 O4
Name
CHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINC
ZINC000058638837
PDB chain
8qsk Chain C Residue 602 [
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Receptor-Ligand Complex Structure
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PDB
8qsk
Cryo-EM structure of human SLC15A4 dimer in outward open state in MSP1D1 nanodisc
Resolution
3.3 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 score
1
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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8qsk
,
PDBe:8qsk
,
PDBj:8qsk
PDBsum
8qsk
PubMed
UniProt
Q8N697
|S15A4_HUMAN Solute carrier family 15 member 4 (Gene Name=SLC15A4)
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