Structure of PDB 8bcg Chain B Binding Site BS01

Receptor Information
>8bcg Chain B (length=1725) 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
NYTLYFMSDAYMGCDQEYKFSVDVK
Ligand information
Ligand IDQ9I
InChIInChI=1S/C8H10ClNO3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyRVRVDFJSEKCDKN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CON(C)[S](=O)(=O)c1ccc(Cl)cc1
OpenEye OEToolkits 3.1.0.0CN(OC)S(=O)(=O)c1ccc(cc1)Cl
FormulaC8 H10 Cl N O3 S
Name4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide
ChEMBL
DrugBank
ZINCZINC000001678442
PDB chain8bcg Chain B Residue 2201 [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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PDB8bcg Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Resolution2.39 Å
Binding residue
(original residue number in PDB)		W593 T606 V609 R634 A635 N638 I639
Binding residue
(residue number reindexed from 1)		W191 T204 V207 R232 A233 N236 I237
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:8bcg, PDBe:8bcg, PDBj:8bcg
PDBsum8bcg
PubMed36974964
UniProtO75643|U520_HUMAN U5 small nuclear ribonucleoprotein 200 kDa helicase (Gene Name=SNRNP200)

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