Structure of PDB 6up4 Chain A Binding Site BS01

Receptor Information
>6up4 Chain A (length=814) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSYIDRDTEYLLQENEPNLSLDQHLLEDLQRKKTDPRYIEMQRFRKKLPS
YGMQKELVNLINNHQVTVISGETGCGKTTQVTQFILDNYIERGKGSACRI
VCTQPRRISAISVAERVATERAESCGNGNSTGYQIRLQSRLPRKQGSILY
CTTGIILQWLQSDSRLSSVSHIVLDEIHERNLQSDVLMTVIKDLLHFRSD
LKVILMSATLNAEKFSEYFGNCPMIHIPGFTFPVVEYLLEDIIEKIRYVP
DQKQFKRGFMQGHVNRQEKEEKEAIYKERWPAYIKELRTRYSASTVDVLQ
MMDDDKVDLNLIAALIRYIVLEEEDGAILVFLPGWDNISTLHDLLMSQVM
FKSDKFLIIPLQTQVFKKTPPGVRKIVIATNIAETSITIDDVVYVIDGGK
IKETHFDTQNNISTMSAEWVSKANAKQRKGRAGRVQPGHCYHLYNGLRAS
LLDDYQLPEILRTPLEELCLQIKILRLGGIAYFLSRLMDPPSNEAVVLSI
KHLMELSALDKQEELTPLGVHLARLPVEPHIGKMILFGALFCCLDPVLTI
AASLSFKDPFVIPLGKEKIADARRKELAKETRSDHLTVVNAFEGWEEAKR
RGFRYEKDYCWEYFLSSNTLQMLHNMKGQFAEHLLGAGFVSSRSPKDPKA
NINSDNEKIIKAVICAGLYPKVAKIRLNLKMVKVHTKSDGLVSIHPKSVN
VEQTDFHYNWLIYHLKMRTSSIYLYDCTEVSPYCLLFFGGDISIQKDKDQ
EIIAVDEWIVFQSPERIAHLVKGLRKELDSLLQEKIESPHPVDWDDTKSR
DCAVLSAILDLIKT
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6up4 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6up4 Function of Auxiliary Domains of the DEAH/RHA Helicase DHX36 in RNA Remodeling.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T224 G225 C226 G227 K228 T229 T230 R267 F529 T551 D553
Binding residue
(residue number reindexed from 1)		T73 G74 C75 G76 K77 T78 T79 R116 F366 T388 D390
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:6up4, PDBe:6up4, PDBj:6up4
PDBsum6up4
PubMed32087197
UniProtQ8VHK9|DHX36_MOUSE ATP-dependent DNA/RNA helicase DHX36 (Gene Name=Dhx36)

[Back to BioLiP]