Structure of PDB 8zj2 Chain D Binding Site BS02

Receptor Information
>8zj2 Chain D (length=181) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQSIKCVVVGDGAVGKTCLLICYTTNAFPKEYIPTVFDNYSAQSAVDGRT
VNLNLWDTAGLEEYDRLRTLSYPQTNVFVICFSIASPPSYENVRHKWHPE
VCHHCPDVPILLVGTKKDLRAQPDTLRRLKEQGQAPITPQQGQALAKQIH
AVRYLECSALQQDGVKEVFAEAVRAVLNPTP
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain8zj2 Chain D Residue 202 [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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PDB8zj2 RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
Resolution4.66 Å
Binding residue
(original residue number in PDB)		D11 G12 V14 G15 K16 T17 C18 F28 E31 Y32 I33 T35 A59 K116 S158 A159 L160
Binding residue
(residue number reindexed from 1)		D11 G12 V14 G15 K16 T17 C18 F28 E31 Y32 I33 T35 A59 K116 S158 A159 L160
Annotation score4
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019901 protein kinase binding
Biological Process
GO:0007015 actin filament organization
GO:0007163 establishment or maintenance of cell polarity
GO:0007266 Rho protein signal transduction
GO:0008284 positive regulation of cell population proliferation
GO:0008360 regulation of cell shape
GO:0016601 Rac protein signal transduction
GO:0030036 actin cytoskeleton organization
GO:0030865 cortical cytoskeleton organization
GO:0032956 regulation of actin cytoskeleton organization
GO:0045893 positive regulation of DNA-templated transcription
GO:0060326 cell chemotaxis
GO:0090630 activation of GTPase activity
GO:0150052 regulation of postsynapse assembly
GO:1900027 regulation of ruffle assembly
GO:1903078 positive regulation of protein localization to plasma membrane
Cellular Component
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0030667 secretory granule membrane
GO:0031410 cytoplasmic vesicle
GO:0042995 cell projection
GO:0070062 extracellular exosome
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:8zj2, PDBe:8zj2, PDBj:8zj2
PDBsum8zj2
PubMed38857861
UniProtP84095|RHOG_HUMAN Rho-related GTP-binding protein RhoG (Gene Name=RHOG)

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