Structure of PDB 8szr Chain A Binding Site BS01

Receptor Information
>8szr Chain A (length=856) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPYKVNLSQDLEHQLQNIIQELNLEIVPPPDDPFMPVVLNLGKPSQRQNQ
MGVVPWSPPQSNWNPWTSSNIDEGPLAYATPEQISMDLKNELMYQLEQDH
DLPAILQERELLPVKKFESEILEAISQNSVVIIRGATGCGKTTQVPQFIL
DDFIQNDRAAECNIVVTQPRRISAVSVAERVAYERGEEPGKSCGYSVRFE
SVLPRPYASIMFCTVGVLLRKLEAGIRGISHVIVDEIHERDINTDFLLVV
LRDVVQAYPEVRIVLMSATIDTSMFCEYFFNCPIIEVYGRTYPVQEYFLE
DCIQMTHFIPPDANCNLICGDEYGPETKMSMAQLNEKETPFELIEALLKY
IETLNVPGAVLVFLPGWNLIYTMQKHLEMNPDFGSHRYQILPLHSQIPRE
EQRKVFDPVPAGVTKVILSTNIAETSITINDVVYVIDSCKQKVKLFTAHN
NMTNYATVWASKTNLEQRKGRAGRVRPGFCFHLCSRARFERLETHMTPEM
FRTPLHEIALSIKLLRLGGIGQFLAKAIEPPPLDAVIEAEHTLRELDALD
ANDELTPLGRILAKLPIEPRFGKMMIMGCIFYVGDAVCTISAATCFPEPF
ISEGKRLGYIHRNFAGNRFSDHVALLSVFQAWDDARMGGEEAEIRFCEHK
RLNMATLRMTWEAKVQLKEILINSGFPEDCLLTQVFTNTGPDNNLDVVIS
LLAFGVYPNVCYHKEKRKILTTEGRNALIHKSSVNCPFSSQDMKYPSPFF
VFGEKIRTRAISAKGMTLVTPLQLLLFASKKVQSDGQIVLVDDWIRLQIS
HEAAACITALRAAMEALVVEVTKQPNIISQLDPVNEHMLNMIRQISRPSA
AGINLM
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 chain8szr Chain A Residue 1301 [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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PDB8szr Crystal structures of DExH-box RNA helicase DHX9
Resolution2.97 Å
Binding residue
(original residue number in PDB)		T414 G415 G417 K418 T419 T420 R457 F700 T722
Binding residue
(residue number reindexed from 1)		T137 G138 G140 K141 T142 T143 R180 F406 T428
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003725 double-stranded RNA binding
GO:0005524 ATP binding
GO:0033679 3'-5' DNA/RNA helicase activity

View graph for
Molecular Function
External links
PDB RCSB:8szr, PDBe:8szr, PDBj:8szr
PDBsum8szr
PubMed37860960
UniProtA0A8I3RTG4

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