Structure of PDB 8bc8 Chain B Binding Site BS02

Receptor Information
>8bc8 Chain B (length=1724) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APRQVLDLEDLVFTQGSHFMANKRCQLPDGSFRRQRKGYEEVHVPALKPK
PFGSEEQLLPVEKLPKYAQAGFEGFKTLNRIQSKLYRAALETDENLLLCA
PTGAGKTNVALMCMLREIGKHINMDGTINVDDFKIIYIAPMRSLVQEMVG
SFGKRLATYGITVAELTGDHQLCKEEISATQIIVCTPEKWDIITRKGGER
TYTQLVRLIILDEIHLLHDDRGPVLEALVARAIRNIEMTQEDVRLIGLSA
TLPNYEDVATFLRVDPAKGLFYFDNSFRPVPLEQTYVGITEKKAIKRFQI
MNEIVYEKIMEHAGKNQVLVFVHSRKETGKTARAIRDMCLEKDTLGLFLR
EGSASTEVLRTEAEQCKNLELKDLLPYGFAIHHAGMTRVDRTLVEDLFAD
KHIQVLVSTATLAWGVNLPAHTVIIKGTQVYSPEKGRWTELGALDILQML
GRAGRPQYDTKGEGILITSHGELQYYLSLLNQQLPIESQMVSKLPDMLNA
EIVLGNVQNAKDAVNWLGYAYLYIRMLRSPTLYGISHDDLKGDPLLDQRR
LDLVHTAALMLDKNNLVKYDKKTGNFQVTELGRIASHYYITNDTVQTYNQ
LLKPTLSEIELFRVFSLSSEFKNITVREEEKLELQKLLERVPIPVKESIE
EPSAKINVLLQAFISQLKLEGFALMADMVYVTQSAGRLMRAIFEIVLNRG
WAQLTDKTLNLCKMIDKRMWQSMCPLRQFRKLPEEVVKKIEKKNFPFERL
YDLNHNEIGELIRMPKMGKTIHKYVHLFPKLELSVHLQPITRSTLKVELT
ITPDFQWDEKVHGSSEAFWILVEDVDSEVILHHEYFLLKAKYAQDEHLIT
FFVPVFEPLPPQYFIRVVSDRWLSCETQLPVSFRHLILPEKYPPPTELLD
LQPLPVSALRNSAFESLYQDKFPFFNPIQTQVFNTVYNSDDNVFVGAPTG
SGKTICAEFAILRMLLQSSEGRCVYITPMEALAEQVYMDWYEKFQDRLNK
KVVLLTGETSTDLKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFVV
DEVHLIGGENGPVLEVICSRMRYISSQIERPIRIVALSSSLSNAKDVAHW
LGCSATSTFNFHPNVRPVPLELHIQGFNISHTQTRLLSMAKPVYHAITKH
SPKKPVIVFVPSRKQTRLTAIDILTTCAADIQRQRFLHCTEKDLIPYLEK
LSDSTLKETLLNGVGYLHEGLSPMERRLVEQLFSSGAIQVVVASRSLCWG
MNVAAHLVIIMDTQYYNGKIHAYVDYPIYDVLQMVGHANRPLQDDEGRCV
IMCQGSKKDFFKKFLYEPLPVESHLDHCMHDHFNAEIVTKTIENKQDAVD
YLTWTFLYRRMTQNPNYYNLQGISHRHLSDHLSELVEQTLSDLEQSKCIS
IEDEMDVAPLNLGMIAAYYYINYTTIELFSMSLNAKTKVRGLIEIISNAA
EYENIPIRHHEDNLLRQLAQKVPHKLNNPKFNDPHVKTNLLLQAHLSRMQ
LSAELQSDTEEILSKAIRLIQACVDVLSSNGWLSPALAAMELAQMVTQAM
WSKDSYLKQLPHFTSEHIKRCTDKGVESVFDIMEMEDEERNALLQLTDSQ
IADVARFCNRYPNIELSYEVVDKDSIRSGGPVVVLVQLEREEEVTGPVIA
PLFPQKREEGWWVVIGDAKSNSLISIKRLTLQQKAKVKLDFVAPATGAHN
YTLYFMSDAYMGCDQEYKFSVDVK
Ligand information
Ligand IDQB6
InChIInChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)
InChIKeyAVQFHKYAVVQYQO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(c(cc1S(=O)(=O)N)N)O
CACTVS 3.385Nc1cc(ccc1O)[S](N)(=O)=O
FormulaC6 H8 N2 O3 S
Name3-azanyl-4-oxidanyl-benzenesulfonamide
ChEMBLCHEMBL4289589
DrugBank
ZINCZINC000003896051
PDB chain8bc8 Chain B Residue 5802 [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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PDB8bc8 Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Resolution2.39 Å
Binding residue
(original residue number in PDB)		W593 T606 A635 N638
Binding residue
(residue number reindexed from 1)		W190 T203 A232 N235
Annotation score1
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:8bc8, PDBe:8bc8, PDBj:8bc8
PDBsum8bc8
PubMed36974964
UniProtO75643|U520_HUMAN U5 small nuclear ribonucleoprotein 200 kDa helicase (Gene Name=SNRNP200)

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