Structure of PDB 6rmc Chain B Binding Site BS01

Receptor Information
>6rmc Chain B (length=645) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPEQRLLKQKIEEAERAQRTIQEVRKSLPVYAYRDAFLDAVKEYQVLILV
GETGSGKTTQIPQYLHEAGYTKGNRKIACTQPRRVAAMSVAARVADEMGV
RLGHEVGYSIRFEDCTSEKTILKYMTDGMLLREMVTSPDLADYSCIMIDE
AHERTVHTDILLALIKDLTRARPELRLIISSATLNAEKFSAYFDDAPIFN
VPGRVHPVEVYYTSAPESNYLEAALVTVFQIHATQPEGDILVFLTGQEEI
ERACERVEEIRRKLGKRVPEIIALPIYSNMPSEMQAKIFEPTPPGARKVV
FSTNIAETSLTIDGIVYVIDSGYVKENTFSPVGTTGQSTLAVVPCSRAAA
NQRMGRAGRVKPGKCFRLYTKYAYLSEMDESPTPEIQRTSLSSVVLQLKA
LGIDDLLGFDFLDPPPTELLIKSLNMLYALGALNSAGQLTRVGRQMGEFP
TEPMLAKALIAATQEGCVSEVLTIVSMLGEVGTLFKVHADSARARFTVRD
GGDHLTLLNIYNQWVEAEYSPIWARENFLAQRSLTRARDVRDQLAKLCDR
ILDGSEASCGGVNNPTPILRALTAAFFLNAARLNRAGDGYRTLKNNITVY
VHPSSVVRGMDPPPKVIIYHELVVTSKEYVRSVIPVEPRWLSEFG
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 chain6rmc Chain B Residue 1001 [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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PDB6rmc Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T322 G323 S324 G325 K326 T327 T328 R362 F558 R628
Binding residue
(residue number reindexed from 1)		T53 G54 S55 G56 K57 T58 T59 R93 F289 R359
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:6rmc, PDBe:6rmc, PDBj:6rmc
PDBsum6rmc
PubMed31974312
UniProtG0SEG4

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