Structure of PDB 4wvy Chain A Binding Site BS01

Receptor Information
>4wvy Chain A (length=427) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISEVRGNTRDHRTAAHTHIKGLGLNSSGIAEKQAAGFVGQCAAREACGVV
VDLIKAHKMAGRGVLLAGGPGTGKTALALAISQELGTKIPFCPITGSEIY
STEVKKTEVLMENFRRAIGLRVRETKDVYEGEVTEMTPETLLIGLKSARG
QKKLRLDPSIYEAIQKERVQVGDVIYIETNTGACKRVGRSDAYATEFDLE
AEEYVPIPKGEVHKKKEIVQDVTLHDLDVANARPIISMMGQLMKPKMTEI
TDKLRMEINKVVQKYINQGVAELIPGVLFIDEAHMLDIECFTYLNKALES
PIAPIVVLASNRGIATIRGADDLKAAHGIPPDFLQRLLIIPTHPYEPDEI
RRIVRIRAQTEGVQLTDAAVDRVAEHGVRISLRYCLQLLAPASILARVNG
RTQVDVQDIAEAEELFLDARRSANILT
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain4wvy Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wvy Structural Basis for Dodecameric Assembly States and Conformational Plasticity of the Full-Length AAA+ ATPases Rvb1Rvb2.
Resolution3.64 Å
Binding residue
(original residue number in PDB)
A18 H19 F40 V41 P73 G74 T75 G76 K77 T78 D303 Y367 I375 R379 L404 R405
Binding residue
(residue number reindexed from 1)
A15 H16 F37 V38 P70 G71 T72 G73 K74 T75 D281 Y345 I353 R357 L382 R383
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0000492 box C/D snoRNP assembly
GO:0006281 DNA repair
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006357 regulation of transcription by RNA polymerase II
GO:0032508 DNA duplex unwinding
Cellular Component
GO:0000812 Swr1 complex
GO:0005634 nucleus
GO:0031011 Ino80 complex
GO:0035267 NuA4 histone acetyltransferase complex
GO:0097255 R2TP complex

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:4wvy, PDBe:4wvy, PDBj:4wvy
PDBsum4wvy
PubMed25661652
UniProtG0RYI5

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