Structure of PDB 5j5c Chain A Binding Site BS02

Receptor Information
>5j5c Chain A (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMRILILGLDGAGKTTILYRLQVGEVVTTIPTIGFNVETVTYKNLKFQVW
DLGGLTSIRPYWRCYYSNTDAVIYVVDSCDRDRIGISKSELVAMLEEEEL
RKAILVVFANKQDMEQAMTSSEMANSLGLPALKDRKWQIFKTSATKGTGL
DEAMEWLVETLKSRQ
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 chain5j5c Chain A Residue 204 [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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PDB5j5c Structural basis for targeting BIG1 to Golgi apparatus through interaction of its DCB domain with Arl1
Resolution3.4 Å
Binding residue
(original residue number in PDB)		D26 G27 G29 K30 T31 T32 T45 P47 T48 G70 N126 K127 D129 M130 S159 A160 T161
Binding residue
(residue number reindexed from 1)		D10 G11 G13 K14 T15 T16 T29 P31 T32 G54 N110 K111 D113 M114 S143 A144 T145
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L71
Catalytic site (residue number reindexed from 1) L55
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0008047 enzyme activator activity
GO:0019904 protein domain specific binding
GO:0046872 metal ion binding
GO:1990583 phospholipase D activator activity
Biological Process
GO:0006886 intracellular protein transport
GO:0007030 Golgi organization
GO:0009404 toxin metabolic process
GO:0016192 vesicle-mediated transport
GO:0034067 protein localization to Golgi apparatus
GO:0042147 retrograde transport, endosome to Golgi
Cellular Component
GO:0000139 Golgi membrane
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005802 trans-Golgi network
GO:0005829 cytosol
GO:0016020 membrane
GO:0032588 trans-Golgi network membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5j5c, PDBe:5j5c, PDBj:5j5c
PDBsum5j5c
PubMed27436755
UniProtP40616|ARL1_HUMAN ADP-ribosylation factor-like protein 1 (Gene Name=ARL1)

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