Structure of PDB 6e7z Chain B Binding Site BS02

Receptor Information
>6e7z Chain B (length=475) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEDLRRRLKYFFMSPCDKFRAKGRKPCKLMLQVVKILVVTVQLILFGLSN
QLAVTFREENTIAFRHLFLLGYSDGADDTFAAYTREQLYQAIFHAVDQYL
ALPDVSLGRYAYVRGGGDPWTNGSGLALCQRYYHRGHVDPANDTFDIDPM
VVTDCIQVDPPERPSSYKNLTLKFHKLVNVTIHFRLKTINLQSLINNEIP
DCYTFSVLITFDNKAHSGRIPISLETQAHIQECKHPSVFQHGDNSFRLLF
DVVVILTCSLSFLLCARSLLRGFLLQNEFVGFMWRQRGRVISLWERLEFV
NGWYILLVTSDVLTISGTIMKIGIEAKNLASYDVCSILLGTSTLLVWVGV
IRYLTFFHNYNILIATLRVALPSVMRFCCCVAVIYLGYCFCGWIVLGPYH
VKFRSLSMVSECLFSLINGDDMFVTFAAMQAQQGRSSLVWLFSQLYLYSF
ISLFIYMVLSLFIALITGAYDTIKH
Ligand information
Ligand IDAQV
InChIInChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1
InChIKeyKDDHBJICVBONAX-AWEZNQCLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C
ACDLabs 12.01c12c(cccc1)C(N(C2=O)CC(N3c4c(C(CC3(C)C)C)cccc4)=O)=O
OpenEye OEToolkits 2.0.6C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C
CACTVS 3.385C[C@H]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14
CACTVS 3.385C[CH]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14
FormulaC22 H22 N2 O3
Name2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione
ChEMBL
DrugBank
ZINCZINC000001208429
PDB chain6e7z Chain B Residue 802 [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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PDB6e7z Structural basis for PtdInsP2-mediated human TRPML1 regulation.
Resolution3.73 Å
Binding residue
(original residue number in PDB)		C429 A433 Y436 F465
Binding residue
(residue number reindexed from 1)		C378 A382 Y385 F414
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005253 monoatomic anion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
GO:0005267 potassium channel activity
GO:0005272 sodium channel activity
GO:0005381 iron ion transmembrane transporter activity
GO:0005515 protein binding
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:0097682 intracellularly phosphatidylinositol-3,5-bisphosphate-gated monatomic cation channel activity
GO:0099604 ligand-gated calcium channel activity
Biological Process
GO:0002250 adaptive immune response
GO:0006812 monoatomic cation transport
GO:0006816 calcium ion transport
GO:0019722 calcium-mediated signaling
GO:0033572 transferrin transport
GO:0034220 monoatomic ion transmembrane transport
GO:0034755 iron ion transmembrane transport
GO:0035725 sodium ion transmembrane transport
GO:0051209 release of sequestered calcium ion into cytosol
GO:0051289 protein homotetramerization
GO:0070588 calcium ion transmembrane transport
GO:0071277 cellular response to calcium ion
GO:0071467 cellular response to pH
GO:0071805 potassium ion transmembrane transport
GO:0090382 phagosome maturation
GO:0097352 autophagosome maturation
GO:0098655 monoatomic cation transmembrane transport
GO:0098656 monoatomic anion transmembrane transport
GO:1901660 calcium ion export
GO:1905673 positive regulation of lysosome organization
Cellular Component
GO:0001891 phagocytic cup
GO:0005654 nucleoplasm
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005768 endosome
GO:0005770 late endosome
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0030670 phagocytic vesicle membrane
GO:0031902 late endosome membrane
GO:0042995 cell projection
GO:0043231 intracellular membrane-bounded organelle
GO:0043235 receptor complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6e7z, PDBe:6e7z, PDBj:6e7z
PDBsum6e7z
PubMed30305615
UniProtQ9GZU1|MCLN1_HUMAN Mucolipin-1 (Gene Name=MCOLN1)

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