Structure of PDB 2a5x Chain A Binding Site BS04

Receptor Information
>2a5x Chain A (length=342) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRTLKYPIEHGIITNWDDM
EKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAM
YVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAG
RDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAAS
SSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSI
MKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITALAPSTMKIKIIAP
PERKYSVWIGGSILASLSTFQQMWITKQEYDEAGPSIVHRKC
Ligand information
Ligand IDNSB
InChIInChI=1S/C6H15NO3S/c1-7(2,3)5-4-6-11(8,9)10/h4-6H2,1-3H3/p+1
InChIKeyWFJHXXPYPMNRPK-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCCS(=O)(=O)O
CACTVS 3.341C[N+](C)(C)CCC[S](O)(=O)=O
FormulaC6 H16 N O3 S
NameN,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM
ChEMBL
DrugBank
ZINCZINC000001674777
PDB chain2a5x Chain A Residue 380 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a5x The crystal structure of a cross-linked actin dimer suggests a detailed molecular interface in F-actin
Resolution2.49 Å
Binding residue
(original residue number in PDB)		Y218 R254
Binding residue
(residue number reindexed from 1)		Y186 R222
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003785 actin monomer binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005523 tropomyosin binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0019904 protein domain specific binding
GO:0031013 troponin I binding
GO:0031432 titin binding
GO:0032036 myosin heavy chain binding
GO:0042802 identical protein binding
GO:0048306 calcium-dependent protein binding
GO:0140660 cytoskeletal motor activator activity
Biological Process
GO:0010628 positive regulation of gene expression
GO:0030041 actin filament polymerization
GO:0030240 skeletal muscle thin filament assembly
GO:0048741 skeletal muscle fiber development
GO:0051017 actin filament bundle assembly
GO:0090131 mesenchyme migration
Cellular Component
GO:0001725 stress fiber
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005865 striated muscle thin filament
GO:0005884 actin filament
GO:0030027 lamellipodium
GO:0030175 filopodium
GO:0031941 filamentous actin
GO:0032432 actin filament bundle
GO:0044297 cell body
GO:0098723 skeletal muscle myofibril

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2a5x, PDBe:2a5x, PDBj:2a5x
PDBsum2a5x
PubMed16141336
UniProtP68135|ACTS_RABIT Actin, alpha skeletal muscle (Gene Name=ACTA1)

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