Structure of PDB 1zy7 Chain B Binding Site BS02

Receptor Information
>1zy7 Chain B (length=362) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRQPIPSLHLPQVLADAVSRLVLGKFGDLTDNFSSPHARRKVLAGVVMTT
GTDVKDAKVISVSTGTKCINGEYMSDRGLALNDCHAEIISRRSLLRFLYT
QLELYLNNKDDQKRSIFQKSERGGFRLKENVQFHLYISTSPCGDARIFSP
HERKARGQLRTKIESGEGTIPVLLTMSCSDKIARWNVVGIQGSLLSIFVE
PIYFSSIILGSLYHGDHLSRAMYQRISNIEDLPPLYTLNKPLLSGISNAE
ARQPGKAPNFSVNWTVGDSAIEVINATTGKDELGRASRLCKHALYCRWMR
VHGKVPSHLLRSKITKPNVYHESKLAAKEYQAAKARLFTAFIKAGLGAWV
EKPTEQDQFSLT
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 chain1zy7 Chain B Residue 902 [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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PDB1zy7 Inositol hexakisphosphate is bound in the ADAR2 core and required for RNA editing.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N391 I397 R401 K519 R522 G530 S531 K629 Y658 K662 Y668 K672 E689 K690
Binding residue
(residue number reindexed from 1)		N82 I88 R92 K181 R184 G192 S193 K291 Y320 K324 Y330 K334 E351 K352
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:1zy7, PDBe:1zy7, PDBj:1zy7
PDBsum1zy7
PubMed16141067
UniProtP78563|RED1_HUMAN Double-stranded RNA-specific editase 1 (Gene Name=ADARB1)

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