Structure of PDB 6uka Chain A Binding Site BS01

Receptor Information
>6uka Chain A (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQSIKCVVVGDGAVGKTCLLICYTTNAFPKEYIPTVFDNYSAQSAVDGRT
VNLNLWDTAGQEEYDRLRTLSYPQTNVFVICFSIASPPSYENVRHKWHPE
VCHHCPDVPILLVGTKKDLRAQPDTLRRLKEQGQAPITPQQGQALAKQIH
AVRYLECSALQQDGVKEVFAEAVRAVL
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain6uka 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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PDB6uka Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A13 V14 G15 K16 T17 C18 F28 Y32 P34 T35 G60 K116 D118 L119 S158 L160
Binding residue
(residue number reindexed from 1)		A13 V14 G15 K16 T17 C18 F28 Y32 P34 T35 G60 K116 D118 L119 S158 L160
Annotation score3
Enzymatic activity
Enzyme Commision number ?
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:0007264 small GTPase-mediated signal transduction
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:6uka, PDBe:6uka, PDBj:6uka
PDBsum6uka
PubMed32651375
UniProtP84095|RHOG_HUMAN Rho-related GTP-binding protein RhoG (Gene Name=RHOG)

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