Structure of PDB 6zm2 Chain A Binding Site BS03

Receptor Information
>6zm2 Chain A (length=627) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIQEVRKSLPVYAYRDAFLDAVKEYQVLILVGETGSGKTTQIPQYLHEAG
YTKGNRKIACTQPRRVAAMSVAARVADEMGVRLGHEVGYSIRFEDCTSEK
TILKYMTDGMLLREMVTSPDLADYSCIMIDEAHERTVHTDILLALIKDLT
RARPELRLIISSATLNAEKFSAYFDDAPIFNVPGRVHPVEVYYTSAPESN
YLEAALVTVFQIHATQPEGDILVFLTGQEEIERACERVEEIRRKLGPEII
ALPIYSNMPSEMQAKIFEPTPPGARKVVFSTNIAETSLTIDGIVYVIDSG
YVKENTFSPVGTTGQSTLAVVPCSRAAANQRMGRAGRVKPGKCFRLYTKY
AYLSEMDESPTPEIQRTSLSSVVLQLKALGIDDLLGFDFLDPPPTELLIK
SLNMLYALGALNSAGQLTRVGRQMGEFPTEPMLAKALIAATQEGCVSEVL
TIVSMLGEVGTLFFRPKDKKVHADSARARFTVRDGGDHLTLLNIYNQWVE
AEYSPIWARENFLAQRSLTRARDVRDQLAKLCDRILDGSEASCGGVNNPT
PILRALTAAFFLNAARLNRAGDGYRTLKNNITVYVHPSSVVRGMDPPPKV
IIYHELVVTSKEYVRSVIPVEPRWLSE
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 chain6zm2 Chain A Residue 1102 [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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PDB6zm2 The structure of Prp2 bound to RNA and ADP-BeF 3 - reveals structural features important for RNA unwinding by DEAH-box ATPases.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G323 S324 G325 K326 T327 T328 R362 T580 R628
Binding residue
(residue number reindexed from 1)		G35 S36 G37 K38 T39 T40 R74 T289 R337
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:6zm2, PDBe:6zm2, PDBj:6zm2
PDBsum6zm2
PubMed33825710
UniProtG0SEG4

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