Structure of PDB 2fa9 Chain B Binding Site BS01

Receptor Information
>2fa9 Chain B (length=178) Species: 10029 (Cricetulus griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSVLQFLGLYKKTGKLVFLGLDNAGKTTLLHMLKPTLHPTSEELTIAGMT
FTTFDLGGGIQARRVWKNYLPAINGIVFLVDCADHERLLESKEELDSLMT
DETIANVPILILGNKIDRPEAISEERLREMFGLYGQTTGKGSVSLKELNA
RPLEVFMCSVLKRQGYGEGFRWMAQYID
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain2fa9 Chain B Residue 1001 [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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PDB2fa9 Crystal Structure of Sar1[H79G]-GDP Which Provides Insight into the Coat-controlled GTP Hydrolysis in the Disassembly of COP II
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D34 N35 G37 K38 T39 T40 D75 N134 K135 D137 R138 S179 L181
Binding residue
(residue number reindexed from 1)		D22 N23 G25 K26 T27 T28 D55 N114 K115 D117 R118 S159 L161
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G79
Catalytic site (residue number reindexed from 1) G59
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: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: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:2fa9, PDBe:2fa9, PDBj:2fa9
PDBsum2fa9
PubMed
UniProtQ9QVY3|SAR1B_CRIGR Small COPII coat GTPase SAR1B (Gene Name=SAR1B)

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