Structure of PDB 7kfn Chain A Binding Site BS03

Receptor Information
>7kfn Chain A (length=384) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHLPQVLADAVSRLVLGKFGDLTDNFSSPHARRKVLAGVVMTTGTDVKDA
KVISVSTGTKCINGEYMSDRGLALNDCHAEIISRRSLLRFLYTQLELYLN
NKDDQKRSIFQKSERGGFRLKENVQFHLYISTSPCGDARIFSPHEPILEE
PADRHPNRKARGQLRTKIESGEGTIPVRSNASIQTWDGVLQGERLLTMSC
SDKIARWNVVGIQGSLLSIFVEPIYFSSIILGSLYHGDHLSRAMYQRISN
IEDLPPLYTLNKPLLSGISNAEARQPGKAPNFSVNWTVGDSAIEVINATT
GKDELGRASRLCKHALYCRWMRVHGKVPSHLLRSKITKPNVYHESKLAAK
EYQAAKARLFTAFIKAGLGAWVEKPTEQDQFSLT
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 chain7kfn 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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PDB7kfn Rational Design of RNA Editing Guide Strands: Cytidine Analogs at the Orphan Position.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		I397 R401 K519 R522 S531 K629 Y658 K662 Y668 K672 K690
Binding residue
(residue number reindexed from 1)		I81 R85 K203 R206 S215 K313 Y342 K346 Y352 K356 K374
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7kfn, PDBe:7kfn, PDBj:7kfn
PDBsum7kfn
PubMed33939417
UniProtP78563|RED1_HUMAN Double-stranded RNA-specific editase 1 (Gene Name=ADARB1)

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