Structure of PDB 6hxu Chain A Binding Site BS01

Receptor Information
>6hxu Chain A (length=182) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAIRKKLVVVGDGACGKTCLLIVFSKDEFPEVYVPTVFENYVADIEVDGK
QVELALWDTAGLEDYDRLRPLSYPDTDVILMCFSVDSPDSLENIPEKWVP
EVKHFCPNVPIILVANKKDLRSDEHVRTELARMKQEPVRTDDGRAMAVRI
QAYDYLECSAKTKEGVREVFETATRAALQKRY
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 chain6hxu Chain A Residue 201 [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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PDB6hxu A Targeted Protein Degradation Cell-Based Screening for Nanobodies Selective toward the Cellular RHOB GTP-Bound Conformation.
Resolution1.19 Å
Binding residue
(original residue number in PDB)		A15 G17 K18 T19 C20 F30 Y34 P36 T37 G62 K118 D120 L121 S160 A161 K162
Binding residue
(residue number reindexed from 1)		A14 G16 K17 T18 C19 F29 Y33 P35 T36 G61 K117 D119 L120 S159 A160 K161
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019003 GDP binding
Biological Process
GO:0000281 mitotic cytokinesis
GO:0001525 angiogenesis
GO:0006886 intracellular protein transport
GO:0006915 apoptotic process
GO:0007015 actin filament organization
GO:0007155 cell adhesion
GO:0007165 signal transduction
GO:0007264 small GTPase-mediated signal transduction
GO:0007266 Rho protein signal transduction
GO:0008333 endosome to lysosome transport
GO:0010595 positive regulation of endothelial cell migration
GO:0015031 protein transport
GO:0030154 cell differentiation
GO:0030334 regulation of cell migration
GO:0030336 negative regulation of cell migration
GO:0043065 positive regulation of apoptotic process
GO:0045766 positive regulation of angiogenesis
GO:0045786 negative regulation of cell cycle
GO:0061154 endothelial tube morphogenesis
GO:0070301 cellular response to hydrogen peroxide
GO:0071479 cellular response to ionizing radiation
GO:0099159 regulation of modification of postsynaptic structure
Cellular Component
GO:0005634 nucleus
GO:0005768 endosome
GO:0005769 early endosome
GO:0005770 late endosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0031902 late endosome membrane
GO:0032154 cleavage furrow
GO:0070062 extracellular exosome
GO:0098685 Schaffer collateral - CA1 synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6hxu, PDBe:6hxu, PDBj:6hxu
PDBsum6hxu
PubMed31522999
UniProtP62745|RHOB_HUMAN Rho-related GTP-binding protein RhoB (Gene Name=RHOB)

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