Structure of PDB 1ksj Chain A Binding Site BS03

Receptor Information
>1ksj Chain A (length=165) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RELRLLMLGLDNAGKTTILKKFNGEDVDTISPTLGFNIKTLEHRGFKLNI
WDVGGQKSLRSYWRNYFESTDGLIWVVDSADRQRMQDCQRELQSLLVEER
LAGATLLIFANKQDLPGALSCNAIQEALELDSIRSHHWRIQGCSAVTGED
LLPGIDWLLDDISSR
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 chain1ksj Chain A 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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PDB1ksj The complex of Arl2-GTP and PDE delta: from structure to function
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D25 N26 G28 K29 T30 T31 I44 P46 T47 N125 K126 D128 L129 S158 V160
Binding residue
(residue number reindexed from 1)		D11 N12 G14 K15 T16 T17 I30 P32 T33 N111 K112 D114 L115 S144 V146
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q70
Catalytic site (residue number reindexed from 1) Q56
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:0006110 regulation of glycolytic process
GO:0007098 centrosome cycle
GO:0010811 positive regulation of cell-substrate adhesion
GO:0031113 regulation of microtubule polymerization
GO:0031116 positive regulation of microtubule polymerization
GO:0034260 negative regulation of GTPase activity
GO:0051457 maintenance of protein location in nucleus
GO:0070830 bicellular tight junction assembly
GO:1903715 regulation of aerobic respiration
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space
GO:0005794 Golgi apparatus
GO:0005813 centrosome
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005925 focal adhesion
GO:0016328 lateral plasma membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ksj, PDBe:1ksj, PDBj:1ksj
PDBsum1ksj
PubMed11980706
UniProtQ9D0J4|ARL2_MOUSE ADP-ribosylation factor-like protein 2 (Gene Name=Arl2)

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