Structure of PDB 7k21 Chain A Binding Site BS03

Receptor Information
>7k21 Chain A (length=372) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSY
VGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYNELRVAPEEHPT
LLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVL
DSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTT
AEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNE
RFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGT
TMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQ
QMWITKQEYDEAGPSIVHRKCF
Ligand information
Ligand ID1T4
InChIInChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
InChIKeyGJNGMQYHOZFQNX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C
OpenEye OEToolkits 1.7.6CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4
CACTVS 3.370CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34
FormulaC18 H13 N O
NameN-(pyren-1-yl)acetamide
ChEMBLCHEMBL1346213
DrugBank
ZINCZINC000000334165
PDB chain7k21 Chain A Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7k21 Cryo-electron microscopy structures of pyrene-labeled ADP-P i - and ADP-actin filaments.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y133 V139 Y143 L346 M355 C374
Binding residue
(residue number reindexed from 1)		Y130 V136 Y140 L343 M352 C371
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
Biological Process
GO:0030240 skeletal muscle thin filament assembly
GO:0048741 skeletal muscle fiber development
Cellular Component
GO:0001725 stress fiber
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005865 striated muscle thin filament
GO:0005884 actin filament

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7k21, PDBe:7k21, PDBj:7k21
PDBsum7k21
PubMed33214556
UniProtP68139|ACTS_CHICK Actin, alpha skeletal muscle (Gene Name=ACTA1)

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