Structure of PDB 4itr Chain D Binding Site BS02

Receptor Information
>4itr Chain D (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYT
LGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEIT
HHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAV
KYVECSALTQKGLKNVFDEAILAALEP
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 chain4itr Chain D Residue 203 [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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PDB4itr Structural basis of Fic-mediated adenylylation.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T17 T35
Binding residue
(residue number reindexed from 1)		T15 T33
Annotation score1
Enzymatic activity
Enzyme Commision number 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:0019901 protein kinase binding
GO:0030742 GTP-dependent protein binding
GO:0031435 mitogen-activated protein kinase kinase kinase binding
GO:0031996 thioesterase binding
GO:0032427 GBD domain binding
GO:0034191 apolipoprotein A-I receptor binding
GO:0042802 identical protein binding
GO:0061630 ubiquitin protein ligase activity
Biological Process
GO:0002040 sprouting angiogenesis
GO:0003015 heart process
GO:0003161 cardiac conduction system development
GO:0003253 cardiac neural crest cell migration involved in outflow tract morphogenesis
GO:0006897 endocytosis
GO:0006911 phagocytosis, engulfment
GO:0007015 actin filament organization
GO:0007030 Golgi organization
GO:0007088 regulation of mitotic nuclear division
GO:0007097 nuclear migration
GO:0007163 establishment or maintenance of cell polarity
GO:0007229 integrin-mediated signaling pathway
GO:0007264 small GTPase-mediated signal transduction
GO:0007399 nervous system development
GO:0008104 protein localization
GO:0009653 anatomical structure morphogenesis
GO:0010591 regulation of lamellipodium assembly
GO:0010592 positive regulation of lamellipodium assembly
GO:0021762 substantia nigra development
GO:0030036 actin cytoskeleton organization
GO:0030154 cell differentiation
GO:0030225 macrophage differentiation
GO:0030307 positive regulation of cell growth
GO:0030335 positive regulation of cell migration
GO:0031274 positive regulation of pseudopodium assembly
GO:0031333 negative regulation of protein-containing complex assembly
GO:0032467 positive regulation of cytokinesis
GO:0032488 Cdc42 protein signal transduction
GO:0032956 regulation of actin cytoskeleton organization
GO:0034329 cell junction assembly
GO:0034332 adherens junction organization
GO:0035050 embryonic heart tube development
GO:0035088 establishment or maintenance of apical/basal cell polarity
GO:0036336 dendritic cell migration
GO:0038189 neuropilin signaling pathway
GO:0043410 positive regulation of MAPK cascade
GO:0043525 positive regulation of neuron apoptotic process
GO:0044788 modulation by host of viral process
GO:0045198 establishment of epithelial cell apical/basal polarity
GO:0045740 positive regulation of DNA replication
GO:0046330 positive regulation of JNK cascade
GO:0046847 filopodium assembly
GO:0048549 positive regulation of pinocytosis
GO:0048664 neuron fate determination
GO:0051130 positive regulation of cellular component organization
GO:0051489 regulation of filopodium assembly
GO:0051491 positive regulation of filopodium assembly
GO:0051492 regulation of stress fiber assembly
GO:0051496 positive regulation of stress fiber assembly
GO:0051647 nucleus localization
GO:0051649 establishment of localization in cell
GO:0051683 establishment of Golgi localization
GO:0051835 positive regulation of synapse structural plasticity
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051988 regulation of attachment of spindle microtubules to kinetochore
GO:0060047 heart contraction
GO:0060071 Wnt signaling pathway, planar cell polarity pathway
GO:0060501 positive regulation of epithelial cell proliferation involved in lung morphogenesis
GO:0060661 submandibular salivary gland formation
GO:0060997 dendritic spine morphogenesis
GO:0071346 cellular response to type II interferon
GO:0072384 organelle transport along microtubule
GO:0086101 endothelin receptor signaling pathway involved in heart process
GO:0090135 actin filament branching
GO:0090316 positive regulation of intracellular protein transport
GO:0099159 regulation of modification of postsynaptic structure
GO:0099175 regulation of postsynapse organization
GO:1900026 positive regulation of substrate adhesion-dependent cell spreading
Cellular Component
GO:0000139 Golgi membrane
GO:0000322 storage vacuole
GO:0005737 cytoplasm
GO:0005789 endoplasmic reticulum membrane
GO:0005813 centrosome
GO:0005819 spindle
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0005911 cell-cell junction
GO:0005925 focal adhesion
GO:0016020 membrane
GO:0017119 Golgi transport complex
GO:0030141 secretory granule
GO:0030175 filopodium
GO:0030425 dendrite
GO:0030496 midbody
GO:0031252 cell leading edge
GO:0031256 leading edge membrane
GO:0032991 protein-containing complex
GO:0036464 cytoplasmic ribonucleoprotein granule
GO:0042995 cell projection
GO:0043005 neuron projection
GO:0043025 neuronal cell body
GO:0043197 dendritic spine
GO:0045177 apical part of cell
GO:0045335 phagocytic vesicle
GO:0051233 spindle midzone
GO:0070062 extracellular exosome
GO:0071944 cell periphery
GO:0072686 mitotic spindle
GO:0098685 Schaffer collateral - CA1 synapse
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4itr, PDBe:4itr, PDBj:4itr
PDBsum4itr
PubMed20622875
UniProtP60953|CDC42_HUMAN Cell division control protein 42 homolog (Gene Name=CDC42)

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