Structure of PDB 3ub5 Chain A Binding Site BS02

Receptor Information
>3ub5 Chain A (length=370) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVG
DEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLL
TEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDS
GDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAE
REIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERF
RCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTM
YPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQM
WISKQEYDESGPSIVHRKCF
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 chain3ub5 Chain A Residue 377 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ub5 Structural basis for profilin-mediated actin nucleotide exchange.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G13 G15 M16
Binding residue
(residue number reindexed from 1)		G8 G10 M11
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0019901 protein kinase binding
GO:0098973 structural constituent of postsynaptic actin cytoskeleton
Biological Process
GO:0007409 axonogenesis
GO:0048870 cell motility
GO:0098974 postsynaptic actin cytoskeleton organization
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005884 actin filament
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0015629 actin cytoskeleton
GO:0016020 membrane
GO:0030424 axon
GO:0032991 protein-containing complex
GO:0035267 NuA4 histone acetyltransferase complex
GO:0045202 synapse
GO:0097433 dense body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ub5, PDBe:3ub5, PDBj:3ub5
PDBsum3ub5
PubMed22366544
UniProtP60712|ACTB_BOVIN Actin, cytoplasmic 1 (Gene Name=ACTB)

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