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Receptor Information

>6ahf Chain D (length=865) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QFTERALTILTLAQKLASDHQHPQLQPIHILAAFIETPEDGSVPYLQNLI
EKGRYDYDLFKKVVNRNLVRIPQQQPAPAEITPSYALGKVLQDAAKIQKQ
QKDSFIAQDHILFALFNDSSIQQIFKEAQVDIEAIKQQALELRGNTRIDS
RGADTNTPLEYLSKYAIDMTEQARQGKLDPVIGREEEIRSTIRVLARRIK
SNPCLIGEPGIGKTAIIEGVAQRIIDDDVPTILQGAKLFSLDLAALTAGA
KYKGDFEERFKGVLKEIEESKTLIVLFIDEIHMLMGNGKDDAANILKPAL
SRGQLKVIGATTNNEYRSIVEKDGAFERRFQKIEVAEPSVRQTVAILRGL
QPKYEIHHGVRILDSALVTAAQLAKRYLPYRRLPDSALDLVDISCAGVAV
ARDSKPEELDSKERQLQLIQVEIKALERDEDADSTTKDRLKLARQKEASL
QEELEPLRQRYNEEKHGHEELTQAKKKLDELENKALDAERRYDTATAADL
RYFAIPDIKKQIEKLEDQVAEEERRAGANSMIQNVVDSDTISETAARLTG
IPVKKLSESENEKLIHMERDLSSEVVGQMDAIKAVSNAVRLSRSGLANPR
QPASFLFLGLSGSGKTELAKKVAGFLFNDEDMMIRVDCSELSEKYAVSKL
LGTTAGYVGYDEGGFLTNQLQYKPYSVLLFDEVEKAHPDVLTVMLQMLDD
GRITSGQGKTIDCSNCIVIMTSALGAEFINSQQGSKIQESTKNLVMGAVR
QHFRPEFLNRISSIVIFNKLSRKAIHKIVDIRLKEIEERFEQNDKHYKLN
LTQEAKDFLAKYGYSDDMGARPLNRLIQNEILNKLALRILKNEIKDKETV
NVVLEAEECLEVLPN

Ligand ID

AGS

InChI

InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

6ahf Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6ahf Heat shock protein 104 (HSP104) chaperones soluble Tau via a mechanism distinct from its disaggregase activity.
Resolution	6.78 Å
Binding residue (original residue number in PDB)	V186 I187 E213 P214 G215 I216 G217 K218 I221 I351 D390 L393
Binding residue (residue number reindexed from 1)	V181 I182 E208 P209 G210 I211 G212 K213 I216 I346 D385 L388
Annotation score	4

Enzyme Commision number

	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

PDB	RCSB:6ahf, PDBe:6ahf, PDBj:6ahf
PDBsum	6ahf
PubMed	30718279
UniProt	P31539\|HS104_YEAST Heat shock protein 104 (Gene Name=HSP104)

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Structure of PDB 6ahf Chain D Binding Site BS01