Structure of PDB 6fa5 Chain A Binding Site BS01

Receptor Information
>6fa5 Chain A (length=635) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQRTIQEVRKSLPVYAYRDAFLDAVKEYQVLILVGETGSGKTTQIPQYLH
EAGYTKGNRKIACTQPRRVAAMSVAARVADEMGVRLGHEVGYSIRFEDCT
SEKTILKYMTDGMLLREMVTSPDLADYSCIMIDEAHERTVHTDILLALIK
DLTRARPELRLIISSATLNAEKFSAYFDDAPIFNVPGRVHPVEVYYTSAP
ESNYLEAALVTVFQIHATQPEGDILVFLTGQEEIERACERVEEIRRKLGK
RVPEIIALPIYSNMPSEMQAKIFEPTPPGARKVVFSTNIAETSLTIDGIV
YVIDSGYVKENTFSPVGTTGQSTLAVVPCSRAAANQRMGRAGRVKPGKCF
RLYTKYAYLSEMDESPTPEIQRTSLSSVVLQLKALGIDDLLGFDFLDPPP
TELLIKSLNMLYALGALNSAGQLTRVGRQMGEFPTEPMLAKALIAATQEG
CVSEVLTIVSMLGEVGTLFFRPKDKKVHADSARARFTVRDGGDHLTLLNI
YNQWVEAEYSPIWARENFLAQRSLTRARDVRDQLAKLCDRILDGSEASCG
GVNNPTPILRALTAAFFLNAARLNRAGDGYRTLKNNITVYVHPSSVVRGM
DPPPKVIIYHELVVTSKEYVRSVIPVEPRWLSEFG
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 chain6fa5 Chain A 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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PDB6fa5 Crystal structure of the spliceosomal DEAH-box ATPase Prp2.
Resolution2.303 Å
Binding residue
(original residue number in PDB)		T322 G323 S324 G325 K326 T327 T328 R362 F558 T580 R628
Binding residue
(residue number reindexed from 1)		T37 G38 S39 G40 K41 T42 T43 R77 F273 T295 R343
Annotation score5
Binding affinityMOAD: Kd=179nM
PDBbind-CN: -logKd/Ki=6.75,Kd=179nM
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:6fa5, PDBe:6fa5, PDBj:6fa5
PDBsum6fa5
PubMed29968674
UniProtG0SEG4

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