Structure of PDB 2q1n Chain B Binding Site BS01

Receptor Information
>2q1n Chain B (length=344) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHLTLKYPIEHGIIT
NWDDMEKIWHHTFYNELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETF
NVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMR
LDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEM
ATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHET
TYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITALAPSTMKI
KIIAPPERKYSVWIGGSILASLSTFQQMWITKQEYDEAGPSIVH
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 chain2q1n Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2q1n Multiple crystal structures of actin dimers and their implications for interactions in the actin filament.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Q263 S265
Binding residue
(residue number reindexed from 1)		Q236 S238
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
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Biological Process
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Cellular Component
External links
PDB RCSB:2q1n, PDBe:2q1n, PDBj:2q1n
PDBsum2q1n
PubMed18391412
UniProtP68135|ACTS_RABIT Actin, alpha skeletal muscle (Gene Name=ACTA1)

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