Structure of PDB 5w3s Chain D Binding Site BS03

Receptor Information
>5w3s Chain D (length=485) Species: 9483 (Callithrix jacchus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLEDQMRRKLKFFFMNPCEKFWARGRKPWKLAIQILKIAMVTIQLVLFGL
SNQMVVAFKEENTVAFKHLFLKGYIDRMDDTYAVYTQSDVYDQIIFAVNQ
YLQLYQVSVGNHAYENSAMAICQHFYKRGNIYPGNDTFDIDPEIETDCFF
VEPDEPFHIENKLNLTLDFHRLLTVELQFKLKAINLQTVRHQELPDCYDF
TLTITFDNKAHSGRIKISLDNDISIRECKDWHVSGSIQKNTHNMMIFDAF
VILTCLVSLILCIRSVISGLQLQQEFVNFFLLHYKKDVSVSDQMEFVNGW
YIMIIISDILTIIGSILKMEIQAKSLTSYDVCSILLGTSTMLVWLGVIRY
LGFFAKYNLLILTLQAALPNVIRFCCCAAMIYLGYCFCGWIVLGPYHNKF
RSLNMVSECLFSLINGDDMFATFAKMQQKSYLVWLFSRIYLYSFISLFIY
MILSLFIALITDTYETIKHYQQDGFPETELRTFIS
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 chain5w3s Chain D Residue 605 [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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PDB5w3s Cryo-electron microscopy structure of the lysosomal calcium-permeable channel TRPML3.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		A420 Y423 L424 S448
Binding residue
(residue number reindexed from 1)		A379 Y382 L383 S407
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005253 monoatomic anion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005267 potassium channel activity
GO:0005272 sodium channel activity
GO:0008289 lipid binding
GO:0008324 monoatomic cation transmembrane transporter activity
GO:0042802 identical protein binding
GO:0072345 NAADP-sensitive calcium-release channel activity
GO:0080025 phosphatidylinositol-3,5-bisphosphate binding
GO:0097682 intracellularly phosphatidylinositol-3,5-bisphosphate-gated monatomic cation channel activity
Biological Process
GO:0019722 calcium-mediated signaling
GO:0034220 monoatomic ion transmembrane transport
GO:0035725 sodium ion transmembrane transport
GO:0051289 protein homotetramerization
GO:0071805 potassium ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
GO:0098656 monoatomic anion transmembrane transport
Cellular Component
GO:0000421 autophagosome membrane
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031901 early endosome membrane
GO:0031902 late endosome membrane
GO:0042995 cell projection
GO:0060171 stereocilium membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5w3s, PDBe:5w3s, PDBj:5w3s
PDBsum5w3s
PubMed29019979
UniProtF6RG56|MCLN3_CALJA Mucolipin-3 (Gene Name=MCOLN3)

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