Structure of PDB 2hzq Chain A Binding Site BS01

Receptor Information
>2hzq Chain A (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FHLGKCPNPPVQENFDVNKYPGRWYEIEKIPTTFENGRCIQANYSLMENG
KIKVLNQELRADGTVNQIEGEATPVNLTEPAKLEVKFSWFMPSAPYHILA
TDYENYALVYSCTSISQSFHVDFAWILARNVALPPETVDSLKNILTSNNI
DVKKMTVTDQVNCPKL
Ligand information
Ligand IDSTR
InChIInChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyRJKFOVLPORLFTN-LEKSSAKUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
ACDLabs 10.04O=C4C=C2C(C1CCC3(C(C(=O)C)CCC3C1CC2)C)(C)CC4
CACTVS 3.341CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C
CACTVS 3.341CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
OpenEye OEToolkits 1.5.0CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
FormulaC21 H30 O2
NamePROGESTERONE
ChEMBLCHEMBL103
DrugBankDB00396
ZINCZINC000004428529
PDB chain2hzq Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hzq Structural insight into the dual ligand specificity and mode of high density lipoprotein association of apolipoprotein d.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T34 A44 Y46 N58 F89 Y98 W127 L129
Binding residue
(residue number reindexed from 1)		T32 A42 Y44 N56 F87 Y96 W125 L127
Annotation score4
Binding affinityMOAD: Kd~1uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005319 lipid transporter activity
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015485 cholesterol binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0001525 angiogenesis
GO:0006006 glucose metabolic process
GO:0006629 lipid metabolic process
GO:0006869 lipid transport
GO:0006950 response to stress
GO:0007420 brain development
GO:0010642 negative regulation of platelet-derived growth factor receptor signaling pathway
GO:0014012 peripheral nervous system axon regeneration
GO:0042246 tissue regeneration
GO:0042308 negative regulation of protein import into nucleus
GO:0048662 negative regulation of smooth muscle cell proliferation
GO:0048678 response to axon injury
GO:0051895 negative regulation of focal adhesion assembly
GO:0060588 negative regulation of lipoprotein lipid oxidation
GO:0071638 negative regulation of monocyte chemotactic protein-1 production
GO:1900016 negative regulation of cytokine production involved in inflammatory response
GO:2000098 negative regulation of smooth muscle cell-matrix adhesion
GO:2000405 negative regulation of T cell migration
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0022626 cytosolic ribosome
GO:0030425 dendrite
GO:0043025 neuronal cell body
GO:0048471 perinuclear region of cytoplasm
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hzq, PDBe:2hzq, PDBj:2hzq
PDBsum2hzq
PubMed17699160
UniProtP05090|APOD_HUMAN Apolipoprotein D (Gene Name=APOD)

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