Structure of PDB 6y09 Chain B Binding Site BS02

Receptor Information
>6y09 Chain B (length=175) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSRIFKIIVIGDSNVGKTCLTYRFCAGRFPDRTEATIGVDFRERAVEIDG
ERIKIQLWDTAGLERFRKSMVQHYYRNVHAVVFVYDMTNMASFHSLPSWI
EECKQHLLANDIPRILVGNKCDLRSAIQVPTDLAQKFADTHSMPLFETSA
KNPNDNDHVEAIFMTLAHKLKSHKP
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 chain6y09 Chain B Residue 302 [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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PDB6y09 RAB33B recruits the ATG16L1 complex to the phagophore via a noncanonical RAB binding protein.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S42 N43 G45 K46 T47 C48 T62 A64 T65 G91 N148 K149 D151 L152 S178 A179 K180
Binding residue
(residue number reindexed from 1)		S13 N14 G16 K17 T18 C19 T33 A35 T36 G62 N119 K120 D122 L123 S149 A150 K151
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0032482 Rab protein signal transduction

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6y09, PDBe:6y09, PDBj:6y09
PDBsum6y09
PubMed32960676
UniProtQ9H082|RB33B_HUMAN Ras-related protein Rab-33B (Gene Name=RAB33B)

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