Structure of PDB 5vhd Chain D Binding Site BS01

Receptor Information
>5vhd Chain D (length=795) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDSEYLLQENEPDATLDQQLLEDLQKKKTDLRYIEMQRFREKLPSYGMQK
ELVNMIDNHQVTVISGETGCGKTTQVTQFILDNYIERGKGSACRIVCTQP
RRISAISVAERVAAERAESCGNGNSTGYQIRLQSRLPRKQGSILYCTTGI
ILQWLQSDPHLSSVSHIVLDEIHERNLQSDVLMTVVKDLLSYRPDLKVVL
MSATLNAEKFSEYFGNCPMIHIPGFTFPVVEYLLEDIIEKIRYVPEYYYE
AIYKERWPGYLRELRQRYSASTVDVVEMMDDEKVDLNLIAALIRYIVLEE
EDGAILVFLPGWDNISTLHDLLMSQVMFKSDKFIIIPLHSLMPTVNQTQV
FKRTPPGVRKIVIATNIAETSITIDDVVYVIDGGKIKETHFDTQNNISTM
SAEWVSKANAKQRKGRAGRVQPGHCYHLYNSLRASLLDDYQLPEILRTPL
EELCLQIKILRLGGIAHFLSRLMDPPSNEAVLLSIKHLMELNALDKQEEL
TPLGVHLARLPVEPHIGKMILFGALFCCLDPVLTIAASLSFKDPFVIPLG
KEKVADARRKELAKDTKSDHLTVVNAFKGWEKAKQRGFRYEKDYCWEYFL
SSNTLQMLHNMKGQFAEHLLGAGFVSSRNPQDPESNINSDNEKIIKAVIC
AGLYPKVAKIRLNMVKVYTKTDGVVAIHPKSVNVEQTEFNYNWLIYHLKM
RTSSIYLYDCTEVSPYCLLFFGGDISIQKQETIAVDEWIIFQSPARIAHL
VKELRKELDILLQEKIESPHPVDWKDTKSRDCAVLSAIIDLIKTQ
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 chain5vhd Chain D Residue 1101 [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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PDB5vhd Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		L209 G235 C236 G237 K238 T239 T240 R277 T561 D563 R607 V608
Binding residue
(residue number reindexed from 1)		L43 G69 C70 G71 K72 T73 T74 R111 T373 D375 R419 V420
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
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:5vhd, PDBe:5vhd, PDBj:5vhd
PDBsum5vhd
PubMed29899445
UniProtQ05B79|DHX36_BOVIN ATP-dependent DNA/RNA helicase DHX36 (Gene Name=DHX36)

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