Structure of PDB 8szp Chain B Binding Site BS01

Receptor Information
>8szp Chain B (length=860) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVEPYKVNLSQDLEHQLQNIIQELNLEILPPPEDPSVPVALNIGKPSQRQ
NQVGVVPWSPPQSNWNPWTSSNIDEGPLAFATPEQISMDLKNELMYQLEQ
DHDLQAILQERELLPVKKFESEILEAISQNSVVIIRGATGCGKTTQVPQF
ILDDFIQNDRAAECNIVVTQPRRISAVSVAERVAFERGEEPGKSCGYSVR
FESILPRPHASIMFCTVGVLLRKLEAGIRGISHVIVDEIHERDINTDFLL
VVLRDVVQAYPEVRIVLMSATIDTSMFCEYFFNCPIIEVYGRTYPVQEYF
LEDCIQMTHFVPPPDANCNLICGDEYGPETRLSMSQLNEKETPFELIEAL
LKYIETLNVPGAVLVFLPGWNLIYTMQKHLEMNPHFGSHRYQILPLHSQI
PREEQRKVFDPVPVGVTKVILSTNIAETSITINDVVYVIDSCKQKVKLFT
AHNNMTNYATVWASKTNLEQRKGRAGRVRPGFCFHLCSRARFERLETHMT
PEMFRTPLHEIALSIKLLRLGGIGQFLAKAIEPPPLDAVIEAEHTLRELD
ALDANDELTPLGRILAKLPIEPRFGKMMIMGCIFYVGDAICTIAAATCFP
EPFINEGKRLGYIHRNFAGNRFSDHVALLSVFQAWDDARMGGEEAEIRFC
EHKRLNMATLRMTWEAKVQLKEILINSGFPEDCLLTQVFTNTGPDNNLDV
VISLLAFGVYPNVCYHKEKRKILTTEGRNALIHKSSVNCPFSSQDMKYPS
PFFVFGEKIRTRAISAKGMTLVTPLQLLLFASKKVQSDGQIVLVDDWIKL
QISHEAAACITGLRAAMEALVVEVTKQPAIISQLDPVNERMLNMIRQISR
PSAAGINLMI
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 chain8szp Chain B 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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PDB8szp Crystal structures of DExH-box RNA helicase DHX9
Resolution2.62 Å
Binding residue
(original residue number in PDB)		T413 G414 G416 K417 T418 T419 R456 F699 T721 N723
Binding residue
(residue number reindexed from 1)		T139 G140 G142 K143 T144 T145 R182 F409 T431 N433
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:8szp, PDBe:8szp, PDBj:8szp
PDBsum8szp
PubMed37860960
UniProtQ08211|DHX9_HUMAN ATP-dependent RNA helicase A (Gene Name=DHX9)

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