Structure of PDB 8e0c Chain A Binding Site BS01

Receptor Information
>8e0c Chain A (length=185) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLQFLGLYKKTGKLVFLGLDNAGKTTLLHMLKDDRLGQHVPTLHPTSEE
LTIAGMTFTTFDLGGGVQARRVWKNYLPAINGIVFLVDCADHERLLESKE
ELDSLMTDETIANVPILILGNKIDRPEAISEERLREMFGLYGQTTGKGSI
SLKELNARPLEVFMCSVLKRQGYGEGFRWMAQYID
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 chain8e0c 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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PDB8e0c Crystal structure of human Sar1bH79G
Resolution1.993 Å
Binding residue
(original residue number in PDB)		D34 N35 G37 K38 T39 T40 D75 N134 K135 D137 R138 S179 V180 L181
Binding residue
(residue number reindexed from 1)		D21 N22 G24 K25 T26 T27 D62 N121 K122 D124 R125 S166 V167 L168
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0003925 G protein activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0140785 amino acid sensor activity
Biological Process
GO:0002474 antigen processing and presentation of peptide antigen via MHC class I
GO:0003400 regulation of COPII vesicle coating
GO:0006886 intracellular protein transport
GO:0006888 endoplasmic reticulum to Golgi vesicle-mediated transport
GO:0015031 protein transport
GO:0016050 vesicle organization
GO:0016192 vesicle-mediated transport
GO:0032368 regulation of lipid transport
GO:0042953 lipoprotein transport
GO:0048208 COPII vesicle coating
GO:0055088 lipid homeostasis
GO:0061024 membrane organization
GO:0070863 positive regulation of protein exit from endoplasmic reticulum
GO:0090110 COPII-coated vesicle cargo loading
GO:0140353 lipid export from cell
GO:1903432 regulation of TORC1 signaling
GO:1904262 negative regulation of TORC1 signaling
GO:1990253 cellular response to leucine starvation
Cellular Component
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0012507 ER to Golgi transport vesicle membrane
GO:0016020 membrane
GO:0030127 COPII vesicle coat
GO:0032580 Golgi cisterna membrane
GO:0070971 endoplasmic reticulum exit site

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8e0c, PDBe:8e0c, PDBj:8e0c
PDBsum8e0c
PubMed36369712
UniProtQ9Y6B6|SAR1B_HUMAN Small COPII coat GTPase SAR1B (Gene Name=SAR1B)

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