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 ID
ATP
InChI
InChI=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
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(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
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
4wvy Chain A Residue 501 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
4wvy
Structural Basis for Dodecameric Assembly States and Conformational Plasticity of the Full-Length AAA+ ATPases Rvb1Rvb2.
Resolution
3.64 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 score
5
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
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:4wvy
,
PDBe:4wvy
,
PDBj:4wvy
PDBsum
4wvy
PubMed
25661652
UniProt
G0RYI5
[
Back to BioLiP
]