Structure of PDB 4oav Chain B Binding Site BS03

Receptor Information
>4oav Chain B (length=673) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDNHLLIKAVQNEDVDLVQQLLEGGANVNFQEEEGGWTPLHNAVQMSRED
IVELLLRHGADPVLRKKNGATPFILAAIAGSVKLLKLFLSKGADVNECDF
YGFTAFMEAAVYGKVKALKFLYKRGANVNLRRKTKEDQERLRKGGATALM
DAAEKGHVEVLKILLDEMGADVNACDNMGRNALIHALLSSDDSDVEAITH
LLLDHGADVNVRGERGKTPLILAVEKKHLGLVQRLLEQEHIEINDTDSDG
KTALLLAVELKLKKIAELLCKRGASTDCGDLVMTARRNYDHSLVKVLLSH
GAKEWKPQSSHWGAALKDLHRIYRPMIGKLKFFIDEKYKIADTSEGGIYL
GFYEKQEVAVKTFCEGSPRAQREVSCLQSSRENSHLVTFYGSESHRGHLF
VCVTLCEQTLEACLDVEEDEFARNVLSSIFKAVQELHLSCGYTHQDLQPQ
NILIDSKKAAHLADFDKSIKWAGDPQEVKRDLEDLGRLVLYVVKKGSISF
EDLKAQSNEEVVQLSPDEETKDLIHRLFHPGEHVRDCLSDLLGHPFFWTW
ESRYRTLRNVGNESDIKTRKSESEILRLLQPGPSEHSKSFDKWTTKINEC
VMKKMNKFYEKRGNFYQNTVGDLLKFIRNLGENIDKMKLKIGDPSLYFQK
TFPDLVIYVYTKLQNTEYRKHFP
Ligand information
Ligand IDACP
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKeyUFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC11 H18 N5 O12 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
ChEMBLCHEMBL133463
DrugBankDB03909
ZINCZINC000008295124
PDB chain4oav 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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PDB4oav Structure of human RNase L reveals the basis for regulated RNA decay in the IFN response.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		A372 T374 S375 I379 A390 K392 R400 T435 C437 T440 Q489 L492 D503 D505
Binding residue
(residue number reindexed from 1)		A341 T343 S344 I348 A359 K361 R369 T404 C406 T409 Q450 L453 D464 D466
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.26.-
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004519 endonuclease activity
GO:0004521 RNA endonuclease activity
GO:0004540 RNA nuclease activity
GO:0004672 protein kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0019843 rRNA binding
GO:0043021 ribonucleoprotein complex binding
GO:0046872 metal ion binding
Biological Process
GO:0006364 rRNA processing
GO:0006396 RNA processing
GO:0006397 mRNA processing
GO:0006468 protein phosphorylation
GO:0043488 regulation of mRNA stability
GO:0045071 negative regulation of viral genome replication
GO:0045444 fat cell differentiation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046326 positive regulation of D-glucose import
GO:0051607 defense response to virus
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005829 cytosol
GO:0016363 nuclear matrix

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4oav, PDBe:4oav, PDBj:4oav
PDBsum4oav
PubMed24578532
UniProtQ05823|RN5A_HUMAN 2-5A-dependent ribonuclease (Gene Name=RNASEL)

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