Structure of PDB 2wkp Chain A Binding Site BS03

Receptor Information
>2wkp Chain A (length=320) Species: 4498,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LATTLERIEKNFVITDPRLPDNPIIFASDSFLQLTEYSREEILGRNCRFL
QGPETDRATVRKIRDAIDNQTEVTVQLINYTKSGKKFWNLFHLQPMRDQK
GDVQYFIGVQLDGTEHVRDAAEREGVMLIKKTAENIDEAAKELIKCVVVG
DGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAG
LEDYDRLRPLSYPQTDVFLICFSLVSPASFHHVRAKWYPEVRHHCPNTPI
ILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSAL
TQRGLKTVFDEAIRAVLCPP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2wkp Chain A Residue 1726 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2wkp A Genetically Encoded Photoactivatable Rac Controls the Motility of Living Cells.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T560 T578
Binding residue
(residue number reindexed from 1)		T157 T175
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0003925 G protein activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019899 enzyme binding
GO:0019901 protein kinase binding
GO:0031996 thioesterase binding
GO:0044877 protein-containing complex binding
GO:0051022 Rho GDP-dissociation inhibitor binding
Biological Process
GO:0001764 neuron migration
GO:0001934 positive regulation of protein phosphorylation
GO:0003376 sphingosine-1-phosphate receptor signaling pathway
GO:0006954 inflammatory response
GO:0007015 actin filament organization
GO:0007155 cell adhesion
GO:0007160 cell-matrix adhesion
GO:0007163 establishment or maintenance of cell polarity
GO:0007264 small GTPase-mediated signal transduction
GO:0008045 motor neuron axon guidance
GO:0008360 regulation of cell shape
GO:0008361 regulation of cell size
GO:0009611 response to wounding
GO:0009653 anatomical structure morphogenesis
GO:0010310 regulation of hydrogen peroxide metabolic process
GO:0010591 regulation of lamellipodium assembly
GO:0010592 positive regulation of lamellipodium assembly
GO:0010595 positive regulation of endothelial cell migration
GO:0010764 negative regulation of fibroblast migration
GO:0010811 positive regulation of cell-substrate adhesion
GO:0016477 cell migration
GO:0016601 Rac protein signal transduction
GO:0030031 cell projection assembly
GO:0030032 lamellipodium assembly
GO:0030036 actin cytoskeleton organization
GO:0030041 actin filament polymerization
GO:0030334 regulation of cell migration
GO:0030865 cortical cytoskeleton organization
GO:0031116 positive regulation of microtubule polymerization
GO:0031529 ruffle organization
GO:0032707 negative regulation of interleukin-23 production
GO:0032956 regulation of actin cytoskeleton organization
GO:0034446 substrate adhesion-dependent cell spreading
GO:0035025 positive regulation of Rho protein signal transduction
GO:0035556 intracellular signal transduction
GO:0043652 engulfment of apoptotic cell
GO:0045428 regulation of nitric oxide biosynthetic process
GO:0045730 respiratory burst
GO:0048012 hepatocyte growth factor receptor signaling pathway
GO:0048261 negative regulation of receptor-mediated endocytosis
GO:0048870 cell motility
GO:0051492 regulation of stress fiber assembly
GO:0051496 positive regulation of stress fiber assembly
GO:0051668 localization within membrane
GO:0051894 positive regulation of focal adhesion assembly
GO:0060071 Wnt signaling pathway, planar cell polarity pathway
GO:0060263 regulation of respiratory burst
GO:0060326 cell chemotaxis
GO:0071526 semaphorin-plexin signaling pathway
GO:0090023 positive regulation of neutrophil chemotaxis
GO:0097178 ruffle assembly
GO:1900026 positive regulation of substrate adhesion-dependent cell spreading
GO:1902622 regulation of neutrophil migration
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005789 endoplasmic reticulum membrane
GO:0005802 trans-Golgi network
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005884 actin filament
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0005938 cell cortex
GO:0016020 membrane
GO:0030027 lamellipodium
GO:0030425 dendrite
GO:0030667 secretory granule membrane
GO:0031410 cytoplasmic vesicle
GO:0032587 ruffle membrane
GO:0036464 cytoplasmic ribonucleoprotein granule
GO:0042470 melanosome
GO:0042995 cell projection
GO:0043020 NADPH oxidase complex
GO:0043197 dendritic spine
GO:0045202 synapse
GO:0055038 recycling endosome membrane
GO:0070062 extracellular exosome
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse
GO:0101003 ficolin-1-rich granule membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wkp, PDBe:2wkp, PDBj:2wkp
PDBsum2wkp
PubMed19693014
UniProtO49003;
P63000|RAC1_HUMAN Ras-related C3 botulinum toxin substrate 1 (Gene Name=RAC1)

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