Structure of PDB 7kw7 Chain D Binding Site BS01

Receptor Information
>7kw7 Chain D (length=379) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGD
AAKNQVALNPQNTVFDAKRLIGRKFGDPVVQSDMKHWPFQVINDGDKPKV
QVSYKGETKAFYPEEISSMVLTKMKEIAEAYLGYPVTNAVITVPAYFNDS
QRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGGG
TFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDI
SQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFE
ELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDF
FNGRDLNKSINPDEAVAYGAAVQAAILMG
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7kw7 Chain D Residue 701 [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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PDB7kw7 Structure of Hsp90-Hsp70-Hop-GR reveals the Hsp90 client-loading mechanism.
Resolution3.57 Å
Binding residue
(original residue number in PDB)		Y15 E175 G201 G202 E268 S275 G338 G339 R342
Binding residue
(residue number reindexed from 1)		Y12 E172 G198 G199 E265 S272 G335 G336 R339
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001618 virus receptor activity
GO:0001664 G protein-coupled receptor binding
GO:0003714 transcription corepressor activity
GO:0003723 RNA binding
GO:0005102 signaling receptor binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0019899 enzyme binding
GO:0031072 heat shock protein binding
GO:0031249 denatured protein binding
GO:0031625 ubiquitin protein ligase binding
GO:0038177 death receptor agonist activity
GO:0042826 histone deacetylase binding
GO:0044183 protein folding chaperone
GO:0045296 cadherin binding
GO:0048018 receptor ligand activity
GO:0051082 unfolded protein binding
GO:0051787 misfolded protein binding
GO:0055131 C3HC4-type RING finger domain binding
GO:0097718 disordered domain specific binding
GO:0140416 transcription regulator inhibitor activity
GO:0140545 ATP-dependent protein disaggregase activity
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006402 mRNA catabolic process
GO:0006986 response to unfolded protein
GO:0007041 lysosomal transport
GO:0007165 signal transduction
GO:0008285 negative regulation of cell population proliferation
GO:0010628 positive regulation of gene expression
GO:0030308 negative regulation of cell growth
GO:0030512 negative regulation of transforming growth factor beta receptor signaling pathway
GO:0031396 regulation of protein ubiquitination
GO:0031397 negative regulation of protein ubiquitination
GO:0032436 positive regulation of proteasomal ubiquitin-dependent protein catabolic process
GO:0032757 positive regulation of interleukin-8 production
GO:0033120 positive regulation of RNA splicing
GO:0034599 cellular response to oxidative stress
GO:0034605 cellular response to heat
GO:0034620 cellular response to unfolded protein
GO:0042026 protein refolding
GO:0043066 negative regulation of apoptotic process
GO:0045648 positive regulation of erythrocyte differentiation
GO:0046034 ATP metabolic process
GO:0046718 symbiont entry into host cell
GO:0050821 protein stabilization
GO:0051085 chaperone cofactor-dependent protein refolding
GO:0051092 positive regulation of NF-kappaB transcription factor activity
GO:0051131 chaperone-mediated protein complex assembly
GO:0070370 cellular heat acclimation
GO:0070434 positive regulation of nucleotide-binding oligomerization domain containing 2 signaling pathway
GO:0071383 cellular response to steroid hormone stimulus
GO:0090063 positive regulation of microtubule nucleation
GO:0090084 negative regulation of inclusion body assembly
GO:1901029 negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway
GO:1901673 regulation of mitotic spindle assembly
GO:1902236 negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway
GO:1902380 positive regulation of endoribonuclease activity
GO:1903265 positive regulation of tumor necrosis factor-mediated signaling pathway
GO:2001240 negative regulation of extrinsic apoptotic signaling pathway in absence of ligand
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005783 endoplasmic reticulum
GO:0005813 centrosome
GO:0005814 centriole
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005925 focal adhesion
GO:0008180 COP9 signalosome
GO:0016234 inclusion body
GO:0016235 aggresome
GO:0016607 nuclear speck
GO:0031982 vesicle
GO:0032991 protein-containing complex
GO:0048471 perinuclear region of cytoplasm
GO:0070062 extracellular exosome
GO:0072562 blood microparticle
GO:1904813 ficolin-1-rich granule lumen
GO:1990904 ribonucleoprotein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7kw7, PDBe:7kw7, PDBj:7kw7
PDBsum7kw7
PubMed34937942
UniProtP0DMV8|HS71A_HUMAN Heat shock 70 kDa protein 1A (Gene Name=HSPA1A)

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