Structure of PDB 4gok Chain B Binding Site BS01

Receptor Information
>4gok Chain B (length=157) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRLLMLGLDNAGKTTILKKFTISPTLGFNIKTLEHRGFKLNIWDVGGLKS
LRSYWRNYFESTDGLIWVVDSADRQRMQDCQRELQSLLVEERLAGATLLI
FANKQDLPGALSCNAIQEALELDSIRSHHWRIQGCSAVTGEDLLPGIDWL
LDDISSR
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 chain4gok Chain B 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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PDB4gok Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D25 N26 G28 K29 T30 T31 T47 G69 N125 K126 D128 L129 S158 A159
Binding residue
(residue number reindexed from 1)		D9 N10 G12 K13 T14 T15 T25 G47 N103 K104 D106 L107 S136 A137
Annotation score3
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: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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4gok, PDBe:4gok, PDBj:4gok
PDBsum4gok
PubMed22960633
UniProtQ9D0J4|ARL2_MOUSE ADP-ribosylation factor-like protein 2 (Gene Name=Arl2)

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