Structure of PDB 6kyk Chain D Binding Site BS02

Receptor Information
>6kyk Chain D (length=168) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDAQ
QCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQ
ILRVKDTDDVPMILVGNKCDLEDERVVGKEQGQNLARQWNNCAFLESSAK
SKINVNEIFYDLVRQINR
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 chain6kyk Chain D Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kyk Shank3 Binds to and Stabilizes the Active Form of Rap1 and HRas GTPases via Its NTD-ANK Tandem with Distinct Mechanisms.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		S17 T35
Binding residue
(residue number reindexed from 1)		S18 T36
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:0019003 GDP binding
GO:0044877 protein-containing complex binding
Biological Process
GO:0007165 signal transduction
GO:0007264 small GTPase-mediated signal transduction
GO:0008283 cell population proliferation
GO:0017156 calcium-ion regulated exocytosis
GO:0030033 microvillus assembly
GO:0032486 Rap protein signal transduction
GO:0033625 positive regulation of integrin activation
GO:0045955 negative regulation of calcium ion-dependent exocytosis
GO:0051649 establishment of localization in cell
GO:0061028 establishment of endothelial barrier
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0071320 cellular response to cAMP
GO:0099010 modification of postsynaptic structure
GO:1901888 regulation of cell junction assembly
GO:2000114 regulation of establishment of cell polarity
GO:2000301 negative regulation of synaptic vesicle exocytosis
Cellular Component
GO:0005737 cytoplasm
GO:0005811 lipid droplet
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005911 cell-cell junction
GO:0016020 membrane
GO:0035577 azurophil granule membrane
GO:0045121 membrane raft
GO:0070062 extracellular exosome
GO:0070161 anchoring junction
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:6kyk, PDBe:6kyk, PDBj:6kyk
PDBsum6kyk
PubMed31879129
UniProtP61224|RAP1B_HUMAN Ras-related protein Rap-1b (Gene Name=RAP1B)

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