Structure of PDB 4kbf Chain A Binding Site BS01

Receptor Information
>4kbf Chain A (length=365) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEFKDFPLKPEILEALHGRGLTTPTPIQAAALPLALEGKDLIGQARTGTG
KTLAFALPIAERLAPSQERGRKPRALVLTPTRELALQVASELTAVAPHLK
VVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVL
DEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNP
VLINVIKDEPVTYEEEAVPAPVRGRLEVLSDLLYVASPDRAMVFTRTKAE
TEEIAQGLLRLGHPAQALHGDLSQGERERVLGAFRQGEVRVLVATDVAAR
GLDIPQVDLVVHYRLPDRAEAYQHRSGRTGRAGRGGRVVLLYGPRERRDV
EALERAVGRRFKRVN
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4kbf Chain A Residue 401 [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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PDB4kbf Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F3 L21 T23 Q28 G48 G50 K51 T52
Binding residue
(residue number reindexed from 1)		F3 L21 T23 Q28 G48 G50 K51 T52
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003724 RNA helicase activity
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:4kbf, PDBe:4kbf, PDBj:4kbf
PDBsum4kbf
PubMed23765433
UniProtQ72GF3

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