Structure of PDB 3tjz Chain A Binding Site BS01

Receptor Information
>3tjz Chain A (length=159) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILMVGLDGAGKTTVLYKLKLGEVITTIPTIGFNVETVQYKNISFTVWD
VGGQDRIRSLWRHYYRNTEGVIFVVDSNDRSRIGEAREVMQRMLNEDELR
NAAWLVFANKQDLPEAMSAAEITEKLGLHSIRNRPWFIQATCATSGEGLY
EGLEWLSNS
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 chain3tjz Chain A 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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PDB3tjz A structure-based mechanism for arf1-dependent recruitment of coatomer to membranes.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		G27 G29 K30 T31 T32 T45 T48 G69 G70 N126 K127 D129 C159 T161
Binding residue
(residue number reindexed from 1)		G10 G12 K13 T14 T15 T28 T31 G52 G53 N109 K110 D112 C142 T144
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Q71
Catalytic site (residue number reindexed from 1) Q54
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3tjz, PDBe:3tjz, PDBj:3tjz
PDBsum3tjz
PubMed22304919
UniProtP11076|ARF1_YEAST ADP-ribosylation factor 1 (Gene Name=ARF1)

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