Structure of PDB 5ed1 Chain A Binding Site BS03

Receptor Information
>5ed1 Chain A (length=396) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSRQPIPSEGLQLHLPQVLADAVSRLVLGKFGDLTDNFSSPHARRKVLAG
VVMTTGTDVKDAKVISVSTGTKCINGEYMSDRGLALNDCHAEIISRRSLL
RFLYTQLELYLNNKDDQKRSIFQKSERGGFRLKENVQFHLYISTSPCGDA
RIFSPHEPILEEPADRHPNRKARGQLRTKIESGQGTIPVRSNASIQTWDG
VLQGERLLTMSCSDKIARWNVVGIQGSLLSIFVEPIYFSSIILGSLYHGD
HLSRAMYQRISNIEDLPPLYTLNKPLLSGISNAEARQPGKAPNFSVNWTV
GDSAIEVINATTGKDELGRASRLCKHALYCRWMRVHGKVPSHLLRSKITK
PNVYHESKLAAKEYQAAKARLFTAFIKAGLGAWVEKPTEQDQFSLT
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain5ed1 Chain A Residue 801 [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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PDB5ed1 Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		I397 R400 R401 K519 R522 S531 K629 Y658 K662 Y668 K672 E689 K690
Binding residue
(residue number reindexed from 1)		I93 R96 R97 K215 R218 S227 K325 Y354 K358 Y364 K368 E385 K386
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.37: double-stranded RNA adenine deaminase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004000 adenosine deaminase activity
Biological Process
GO:0006396 RNA processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ed1, PDBe:5ed1, PDBj:5ed1
PDBsum5ed1
PubMed27065196
UniProtP78563|RED1_HUMAN Double-stranded RNA-specific editase 1 (Gene Name=ADARB1)

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