Structure of PDB 7k21 Chain C Binding Site BS01

Receptor Information
>7k21 Chain C (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)		V43 M44 V45
Binding residue
(residue number reindexed from 1)		V40 M41 V42
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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