Structure of PDB 1upt Chain C Binding Site BS01

Receptor Information
>1upt Chain C (length=163) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILILGLDGAGKTTILYRLQVGEVVTTIPTIGFNVETVTYKNLKFQVWD
LGGLTSIRPYWRCYYSNTDAVIYVVDSCDRDRIGISKSELVAMLEEEELR
KAILVVFANKQDMEQAMTSSEMANSLGLPALKDRKWQIFKTSATKGTGLD
EAMEWLVETLKSR
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 chain1upt Chain C Residue 1181 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1upt Structural Basis for Arl1-Dependent Targeting of Homodimeric Grip Domains to the Golgi Apparatus
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D26 G27 G29 K30 T31 T32 T45 T48 G70 N126 K127 D129 S159 A160 T161
Binding residue
(residue number reindexed from 1)		D9 G10 G12 K13 T14 T15 T28 T31 G53 N109 K110 D112 S142 A143 T144
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L71
Catalytic site (residue number reindexed from 1) L54
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
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1upt, PDBe:1upt, PDBj:1upt
PDBsum1upt
PubMed14580338
UniProtP40616|ARL1_HUMAN ADP-ribosylation factor-like protein 1 (Gene Name=ARL1)

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