Structure of PDB 6vff Chain B Binding Site BS03

Receptor Information
>6vff Chain B (length=436) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPVMILNELRPGLKYDFLSESGESHAKSFVMSVVVDGQFFEGSGRNKKLA
KARAAQSALAAIFNLHLDQTPSRQPIPSEGLQLHLPQVLADAVSRLVLGK
FGDLTDNFSSPHARRKVLAGVVMTTGTDVKDAKVISVSTGTKCINGEYMS
DRGLALNDCHAEIISRRSLLRFLYTQLELYLNNKDDQKRSIFQKSERGGF
RLKENVQFHLYISTSPCGDARIFSPHEARGQLRTKIESGQGTIPVRSLTM
SCSDKIARWNVVGIQGSLLSIFVEPIYFSSIILGSLYHGDHLSRAMYQRI
SNIEDLPPLYTLNKPLLSGISNAEARQPGKAPNFSVNWTVGDSAIEVINA
TTGKDELGRASRLCKHALYCRWMRVHGKVPSHLLRSKITKPNVYHESKLA
AKEYQAAKARLFTAFIKAGLGAWVEKPTEQDQFSLT
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 chain6vff Chain B 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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PDB6vff Asymmetric dimerization of adenosine deaminase acting on RNA facilitates substrate recognition.
Resolution2.8 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)		N157 I163 R167 K255 R258 G266 S267 K365 Y394 K398 Y404 K408 E425 K426
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:6vff, PDBe:6vff, PDBj:6vff
PDBsum6vff
PubMed32597966
UniProtP78563|RED1_HUMAN Double-stranded RNA-specific editase 1 (Gene Name=ADARB1)

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