Structure of PDB 3q84 Chain B Binding Site BS01

Receptor Information
>3q84 Chain B (length=285) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETTDSFWEVGNYKRTVKRIDDGHRLCNDLMNCVQERAKIEKAYGQQLTDW
AKRWRQLIEKGPQYGSLERAWGAIMTEADKVSELHQEVKNNLLNEDLEKV
KNWQKDAYHKQIMGGFKETKEAEDGFRKAQKPWAKKMKELEAAKKAYHLA
CKEEKLAMTREMNSTEQQKKLQDKVDKCKQDVQKTQEKYEKVLEDVGKTT
PQYMENMEQVFEQCQQFEEKRLVFLKEVLLDIKRHLNLAENSSYIHVYRE
LEQAIRGADAQEDLRWFRSTSGPGMPMNWPQFEEW
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3q84 Chain B Residue 400 [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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PDB3q84 Crystal structure of human PACSIN 1 F-BAR domain
Resolution2.8 Å
Binding residue
(original residue number in PDB)		I71 E72 G74 Q76 Y77 E81
Binding residue
(residue number reindexed from 1)		I58 E59 G61 Q63 Y64 E68
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3q84, PDBe:3q84, PDBj:3q84
PDBsum3q84
PubMed
UniProtQ9BY11|PACN1_HUMAN Protein kinase C and casein kinase substrate in neurons protein 1 (Gene Name=PACSIN1)

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