Structure of PDB 7bdi Chain B Binding Site BS02
Receptor Information
>7bdi Chain B (length=1725) Species:
9606
(Homo sapiens) [
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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 ID
AGS
InChI
InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKey
NLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
Formula
C10 H16 N5 O12 P3 S
Name
PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBL
CHEMBL131890
DrugBank
DB02930
ZINC
ZINC000008295128
PDB chain
7bdi Chain B Residue 2202 [
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Receptor-Ligand Complex Structure
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PDB
7bdi
Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
F1328 N1329 Q1332 G1353 S1354 G1355 K1356 T1357 D1454 E1455
Binding residue
(residue number reindexed from 1)
F926 N927 Q930 G951 S952 G953 K954 T955 D1052 E1053
Annotation score
4
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:7bdi
,
PDBe:7bdi
,
PDBj:7bdi
PDBsum
7bdi
PubMed
34048711
UniProt
O75643
|U520_HUMAN U5 small nuclear ribonucleoprotein 200 kDa helicase (Gene Name=SNRNP200)
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