Structure of PDB 2ksq Chain A Binding Site BS03

Receptor Information
>2ksq Chain A (length=181) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
tGLFASKLFSNLFGNKEMRILMVGLDGAGKTTVLYKLKLGEVITTIPTIG
FNVECVQYCNISFTVWDVGGQDRIRSLWRHYYCNTEGVIFVVDSNDRSRI
GEAREVMQRMLNEDELCNAAWLVFANKQDLPEAMSAAEITEKLGLHSIRN
RPWFIQATCATSGEGLYEGLEWLSNCLKNST
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 chain2ksq Chain A Residue 187 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ksq Dynamic structure of membrane-anchored Arf*GTP.
ResolutionN/A
Binding residue
(original residue number in PDB)		L25 D26 A28 G29 K30 T31 T32 T45 I46 T48 N126 D129 A160 T161
Binding residue
(residue number reindexed from 1)		L25 D26 A28 G29 K30 T31 T32 T45 I46 T48 N126 D129 A160 T161
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q71
Catalytic site (residue number reindexed from 1) Q70
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0006886 intracellular protein transport
GO:0006888 endoplasmic reticulum to Golgi vesicle-mediated transport
GO:0006893 Golgi to plasma membrane transport
GO:0010636 positive regulation of mitochondrial fusion
GO:0015031 protein transport
GO:0016192 vesicle-mediated transport
GO:0016236 macroautophagy
GO:0019217 regulation of fatty acid metabolic process
GO:0048193 Golgi vesicle transport
GO:0090141 positive regulation of mitochondrial fission
GO:1903292 protein localization to Golgi membrane
GO:1903358 regulation of Golgi organization
Cellular Component
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0044232 organelle membrane contact site

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2ksq, PDBe:2ksq, PDBj:2ksq
PDBsum2ksq
PubMed20601958
UniProtP11076|ARF1_YEAST ADP-ribosylation factor 1 (Gene Name=ARF1)

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