Structure of PDB 8fx4 Chain B Binding Site BS01

Receptor Information
>8fx4 Chain B (length=619) Species: 10029 (Cricetulus griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTD
PSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTK
AFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSA
GGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGY
PITLYLEYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAV
KHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDE
LIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSE
LAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTS
LSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPID
EYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMK
EILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDMGYMM
AKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLE
DPQTHSNRIYRMIKLGLGI
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 chain8fx4 Chain B Residue 801 [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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PDB8fx4 Structural insight into guanylyl cyclase receptor hijacking of the kinase-Hsp90 regulatory mechanism.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		N46 A50 M93 N101 G127 G130 F133
Binding residue
(residue number reindexed from 1)		N35 A39 M82 N90 G116 G119 F122
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0051082 unfolded protein binding
GO:0097718 disordered domain specific binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding
GO:0034605 cellular response to heat
GO:0050821 protein stabilization
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0032991 protein-containing complex
GO:0042470 melanosome
GO:0048471 perinuclear region of cytoplasm
GO:0120293 dynein axonemal particle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fx4, PDBe:8fx4, PDBj:8fx4
PDBsum8fx4
PubMed37535399
UniProtA0A8C2MUK8

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