Structure of PDB 8cnt Chain A Binding Site BS01

Receptor Information
>8cnt Chain A (length=620) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEQREFLPAFAVREDLLRVIRDNQVVIVIGETGSGKTTQLTQFLYEDGYG
KTGMIGCTQPRRVAAMSVAKRVAEEMEVKLGTLVGYAIRFEDCTSKETVI
KYMTDGVLLRESLNEPDLDRYSCIIMDEAHERALNTDVLMGLFKKILQRR
RDLKLIITSATMNSKRFSDFFGGAPEFTIPGRTFPVDILFHRSPVEDYVD
QAVQQVLAIHVSKPAGDILVFMTGQEDIEVTCELIQERLAALNDPPKLSV
LPIYSQMPADLQAKIFDRAPPGVRKCIVATNIAETSLTVDGIMYVVDCGY
SKLKVYNPRMGMDTLQITPISQANAAQRAGRAGRTGPGQAYRLYTEKQFR
DEMYMQTIPEIQRTNLSNTVLLLKSLGVKDLLDFDFMDPPPQDTITTSLY
DLWALGALDNLGELTELGRKMNAFPMDPPLAKLLIMSEEYGCSEEMVTIV
SMLSVPNVFYRPKERQEESDAAREKFFVPESDHLTYLHVYTQWKANGYSD
AWCARHFLHSKSLRRAREVRDQLLDIMKMQHMRMVSCGTDWDIIRKCICS
GYYHQAAKVKGIGEYINLRTSVTVQLHPTSALYGLGFLPDYVVYHELILT
SKEYMSTVTAVDPHWLAELE
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 chain8cnt Chain A Residue 1002 [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]
PDB8cnt Crystal structure of Prp16 in complex with ADP.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T333 G334 S335 G336 K337 T338 T339 S368 V369 R372 F567 T589 D591 R635
Binding residue
(residue number reindexed from 1)		T32 G33 S34 G35 K36 T37 T38 S67 V68 R71 F266 T288 D290 R334
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:8cnt, PDBe:8cnt, PDBj:8cnt
PDBsum8cnt
PubMed37548918
UniProtG0S0F9

[Back to BioLiP]