Structure of PDB 5kne Chain C Binding Site BS02
Receptor Information
>5kne Chain C (length=769) Species:
4932
(Saccharomyces cerevisiae) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
QFTERALTILTLAQKLASDHQHPQLQPIHILAAFIETPEDGSVPYLQNLI
EKGRYDYDLFKKVVNRNLVRIPQQQPAPAEITPSYALGKVLQDAAKIQKQ
QKDSFIAQDHILFALFNDSSIQQIFKEAQVDIEAIKQQALELRGNTRIDS
RGADTNTPLEYLSKYAIDMTEQARQGKLDPVIGREEEIRSTIRVLARRIK
SNPCLIGEPGIGKTAIIEGVAQRIIDDDVPTILQGAKLFSLDLAALTGDF
EERFKGVLKEIEESKTLIVLFIDEIHMLMGNAANILKPALSRGQLKVIGA
TTNNEYRSIVEKDGAFERRFQKIEVAEPSVRQTVAILRGLQPKYEIHHGV
RILDSALVTAAQLAKRYLPYRRLPDSALDLVDISCAGVAVARDSKPEELD
SKERQLQLIQVEIKALERDEDADSTTKDRLKLARQKEASLQEELEPLRQR
YNSMIQNVVDSDTISETAARLTGIPVKKLSESENEKLIHMERDLSSEVVG
QMDAIKAVSNAVRLSRSGLANPRQPASFLFLGLSGSGKTELAKKVAGFLF
NDEDMMIRVDCSELSEKYAVSKLLGTTDEGGFLTNQLQYKPYSVLLFDEV
EKAHPDVLTVMLQMLDDGRITSGQGKTIDCSNCIVIMTSNLGAEFINSQQ
GSKIQESTKNLVMGAVRQHFRPEFLNRISSIVIFNKLSRKAIHKIVDIRL
KEIEERFEQNDKHYKLNLTQEAKDFLAKYGYSDDMGARPLNRLIQNEILN
KLALRILKNEIKDKETVNV
Ligand information
Ligand ID
ANP
InChI
InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey
PVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01
O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
Formula
C10 H17 N6 O12 P3
Name
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBL
CHEMBL1230989
DrugBank
ZINC
ZINC000008660410
PDB chain
5kne Chain C Residue 902 [
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
5kne
Spiral architecture of the Hsp104 disaggregase reveals the basis for polypeptide translocation.
Resolution
5.64 Å
Binding residue
(original residue number in PDB)
E579 S616 G617 T621
Binding residue
(residue number reindexed from 1)
E497 S534 G535 T539
Annotation score
3
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0016887
ATP hydrolysis activity
GO:0042802
identical protein binding
GO:0043531
ADP binding
GO:0051082
unfolded protein binding
GO:0051087
protein-folding chaperone binding
Biological Process
GO:0006620
post-translational protein targeting to endoplasmic reticulum membrane
GO:0034605
cellular response to heat
GO:0034975
protein folding in endoplasmic reticulum
GO:0035617
stress granule disassembly
GO:0042026
protein refolding
GO:0043335
protein unfolding
GO:0051085
chaperone cofactor-dependent protein refolding
GO:0070370
cellular heat acclimation
GO:0070414
trehalose metabolism in response to heat stress
Cellular Component
GO:0005634
nucleus
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0034399
nuclear periphery
GO:0072380
TRC complex
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:5kne
,
PDBe:5kne
,
PDBj:5kne
PDBsum
5kne
PubMed
27478928
UniProt
P31539
|HS104_YEAST Heat shock protein 104 (Gene Name=HSP104)
[
Back to BioLiP
]