Structure of PDB 8bsh Chain B Binding Site BS02

Receptor Information
>8bsh Chain B (length=167) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLLFLGLDNAGKTTLLHMLKNDRLATLQPTWHPTSEELAIGNIKFTTFD
LGGHIQARRLWKDYFPEVNGIVFLVDAADPERFDEARVELDALFNIAELK
DVPFVILGNKIDAPNAVSEAELRSALGLLNTTGSQRIEGQRPVEVFMCSV
VMRNGYLEAFQWLSQYI
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 chain8bsh Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bsh COPII inner coat
Resolution3.8 Å
Binding residue
(original residue number in PDB)		N33 G35 K36 T37 T38 P53 T54 G76 K133 S172 V174
Binding residue
(residue number reindexed from 1)		N10 G12 K13 T14 T15 P30 T31 G53 K110 S149 V151
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0000266 mitochondrial fission
GO:0003400 regulation of COPII vesicle coating
GO:0006886 intracellular protein transport
GO:0006888 endoplasmic reticulum to Golgi vesicle-mediated transport
GO:0006998 nuclear envelope organization
GO:0007006 mitochondrial membrane organization
GO:0015031 protein transport
GO:0016050 vesicle organization
GO:0016192 vesicle-mediated transport
GO:0061024 membrane organization
GO:0070863 positive regulation of protein exit from endoplasmic reticulum
GO:1902953 positive regulation of ER to Golgi vesicle-mediated transport
Cellular Component
GO:0000139 Golgi membrane
GO:0005739 mitochondrion
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0012507 ER to Golgi transport vesicle membrane
GO:0016020 membrane
GO:0030127 COPII vesicle coat
GO:0031410 cytoplasmic vesicle
GO:0044233 mitochondria-associated endoplasmic reticulum membrane contact site
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:8bsh, PDBe:8bsh, PDBj:8bsh
PDBsum8bsh
PubMed36468689
UniProtP20606|SAR1_YEAST Small COPII coat GTPase SAR1 (Gene Name=SAR1)

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