Structure of PDB 4y3b Chain A Binding Site BS02

Receptor Information
>4y3b Chain A (length=229) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMGSMERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLS
VAYKNVVGGQRAAWRVLSSIEQKSNKGPEVREYREKVETELQGVCDTVLG
LLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDKKRIIDSARSAYQ
EAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAM
ADLHTLSEDSYKDSTLIMQLLRDNLTLWT
Ligand information
Ligand ID49F
InChIInChI=1S/C7H15NO/c1-9-6-4-7-3-2-5-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKeyXSVHOPJZMMLWKO-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2COCCC1CCCN1
CACTVS 3.385
OpenEye OEToolkits 1.9.2		COCC[C@@H]1CCCN1
CACTVS 3.385COCC[CH]1CCCN1
ACDLabs 12.01O(C)CCC1NCCC1
FormulaC7 H15 N O
Name(2S)-2-(2-methoxyethyl)pyrrolidine
ChEMBL
DrugBank
ZINCZINC000057660768
PDB chain4y3b Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4y3b Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N42 S45 V46
Binding residue
(residue number reindexed from 1)		N47 S50 V51
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008426 protein kinase C inhibitor activity
GO:0019901 protein kinase binding
GO:0042802 identical protein binding
GO:0045296 cadherin binding
GO:0050815 phosphoserine residue binding
GO:0051219 phosphoprotein binding
GO:0140311 protein sequestering activity
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0001836 release of cytochrome c from mitochondria
GO:0003334 keratinocyte development
GO:0006469 negative regulation of protein kinase activity
GO:0006611 protein export from nucleus
GO:0007165 signal transduction
GO:0008104 protein localization
GO:0008630 intrinsic apoptotic signaling pathway in response to DNA damage
GO:0010482 regulation of epidermal cell division
GO:0010839 negative regulation of keratinocyte proliferation
GO:0022407 regulation of cell-cell adhesion
GO:0030216 keratinocyte differentiation
GO:0030307 positive regulation of cell growth
GO:0031424 keratinization
GO:0032880 regulation of protein localization
GO:0043588 skin development
GO:0043616 keratinocyte proliferation
GO:0045606 positive regulation of epidermal cell differentiation
GO:0045785 positive regulation of cell adhesion
GO:0045824 negative regulation of innate immune response
GO:0046827 positive regulation of protein export from nucleus
GO:0051726 regulation of cell cycle
GO:0061436 establishment of skin barrier
GO:0072089 stem cell proliferation
GO:0141156 cAMP/PKA signal transduction
GO:1903077 negative regulation of protein localization to plasma membrane
GO:1903829 positive regulation of protein localization
GO:2000647 negative regulation of stem cell proliferation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4y3b, PDBe:4y3b, PDBj:4y3b
PDBsum4y3b
PubMed26537010
UniProtP31947|1433S_HUMAN 14-3-3 protein sigma (Gene Name=SFN)

[Back to BioLiP]