Structure of PDB 8bca Chain B Binding Site BS02

Receptor Information
>8bca 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]
LAPRQVLDLEDLVFTQGSHFMANKRCQLPDGSFRRQRKGYEEVHVPALKP
KPFGSEEQLLPVEKLPKYAQAGFEGFKTLNRIQSKLYRAALETDENLLLC
APTGAGKTNVALMCMLREIGKHINMDGTINVDDFKIIYIAPMRSLVQEMV
GSFGKRLATYGITVAELTGDHQLCKEEISATQIIVCTPEKWDIITRKGGE
RTYTQLVRLIILDEIHLLHDDRGPVLEALVARAIRNIEMTQEDVRLIGLS
ATLPNYEDVATFLRVDPAKGLFYFDNSFRPVPLEQTYVGITEKKAIKRFQ
IMNEIVYEKIMEHAGKNQVLVFVHSRKETGKTARAIRDMCLEKDTLGLFL
REGSASTEVLRTEAEQCKNLELKDLLPYGFAIHHAGMTRVDRTLVEDLFA
DKHIQVLVSTATLAWGVNLPAHTVIIKGTQVYSPEKGRWTELGALDILQM
LGRAGRPQYDTKGEGILITSHGELQYYLSLLNQQLPIESQMVSKLPDMLN
AEIVLGNVQNAKDAVNWLGYAYLYIRMLRSPTLYGISHDDLKGDPLLDQR
RLDLVHTAALMLDKNNLVKYDKKTGNFQVTELGRIASHYYITNDTVQTYN
QLLKPTLSEIELFRVFSLSSEFKNITVREEEKLELQKLLERVPIPVKESI
EEPSAKINVLLQAFISQLKLEGFALMADMVYVTQSAGRLMRAIFEIVLNR
GWAQLTDKTLNLCKMIDKRMWQSMCPLRQFRKLPEEVVKKIEKKNFPFER
LYDLNHNEIGELIRMPKMGKTIHKYVHLFPKLELSVHLQPITRSTLKVEL
TITPDFQWDEKVHGSSEAFWILVEDVDSEVILHHEYFLLKAKYAQDEHLI
TFFVPVFEPLPPQYFIRVVSDRWLSCETQLPVSFRHLILPEKYPPPTELL
DLQPLPVSALRNSAFESLYQDKFPFFNPIQTQVFNTVYNSDDNVFVGAPT
GSGKTICAEFAILRMLLQSSEGRCVYITPMEALAEQVYMDWYEKFQDRLN
KKVVLLTGETSTDLKLLGKGNIIISTPEKWDILSRRWKQRKNVQNINLFV
VDEVHLIGGENGPVLEVICSRMRYISSQIERPIRIVALSSSLSNAKDVAH
WLGCSATSTFNFHPNVRPVPLELHIQGFNISHTQTRLLSMAKPVYHAITK
HSPKKPVIVFVPSRKQTRLTAIDILTTCAADIQRQRFLHCTEKDLIPYLE
KLSDSTLKETLLNGVGYLHEGLSPMERRLVEQLFSSGAIQVVVASRSLCW
GMNVAAHLVIIMDTQYYNGKIHAYVDYPIYDVLQMVGHANRPLQDDEGRC
VIMCQGSKKDFFKKFLYEPLPVESHLDHCMHDHFNAEIVTKTIENKQDAV
DYLTWTFLYRRMTQNPNYYNLQGISHRHLSDHLSELVEQTLSDLEQSKCI
SIEDEMDVAPLNLGMIAAYYYINYTTIELFSMSLNAKTKVRGLIEIISNA
AEYENIPIRHHEDNLLRQLAQKVPHKLNNPKFNDPHVKTNLLLQAHLSRM
QLSAELQSDTEEILSKAIRLIQACVDVLSSNGWLSPALAAMELAQMVTQA
MWSKDSYLKQLPHFTSEHIKRCTDKGVESVFDIMEMEDEERNALLQLTDS
QIADVARFCNRYPNIELSYEVVDKDSIRSGGPVVVLVQLEREEEVTGPVI
APLFPQKREEGWWVVIGDAKSNSLISIKRLTLQQKAKVKLDFVAPATGAH
NYTLYFMSDAYMGCDQEYKFSVDV
Ligand information
Ligand IDQ96
InChIInChI=1S/C8H13N3O2S/c1-10-8-4-3-6(5-7(8)9)14(12,13)11-2/h3-5,10-11H,9H2,1-2H3
InChIKeyBSCVJYVFYUNMQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNc1ccc(cc1N)[S](=O)(=O)NC
OpenEye OEToolkits 3.1.0.0CNc1ccc(cc1N)S(=O)(=O)NC
FormulaC8 H13 N3 O2 S
Name3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide
ChEMBLCHEMBL4925930
DrugBank
ZINCZINC000004825077
PDB chain8bca 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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PDB8bca Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G921 Y922 Y926 I927 L930
Binding residue
(residue number reindexed from 1)		G519 Y520 Y524 I525 L528
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:8bca, PDBe:8bca, PDBj:8bca
PDBsum8bca
PubMed36974964
UniProtO75643|U520_HUMAN U5 small nuclear ribonucleoprotein 200 kDa helicase (Gene Name=SNRNP200)

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