Structure of PDB 2cg9 Chain B Binding Site BS01

Receptor Information
>2cg9 Chain B (length=618) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLS
DPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGT
KAFMEALSAGADVSMIGQFGVGFYSLFLVADRVQVISKSNDDEQYIWESN
AGGSFTVTLDEVNERIGRGTILRLFLKDDQLEYLEEKRIKEVIKRHSEFV
AYPIQLVVTKEVEKEEEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSI
SNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVR
RVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNI
VKKLIEAFNEIAEDSEQFEKFYSAFSKNIKLGVHEDTQNRAALAKLLRYN
STKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFLDALKAKNF
EVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAEREKEIKE
YEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSANMERIMKAQ
AKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKLLYETALLTSGFSLD
EPTSFASRINRLISLGLN
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 chain2cg9 Chain B Residue 1678 [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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PDB2cg9 Crystal Structure of an Hsp90-Nucleotide-P23/Sba1 Closed Chaperone Complex
Resolution3.1 Å
Binding residue
(original residue number in PDB)		N37 A41 M84 N92 S99 G100 G118 Q119 G121 V122 G123 F124 R380
Binding residue
(residue number reindexed from 1)		N36 A40 M83 N91 S98 G99 G117 Q118 G120 V121 G122 F123 R334
Annotation score5
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:0051082 unfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0000492 box C/D snoRNP assembly
GO:0006457 protein folding
GO:0006458 'de novo' protein folding
GO:0006626 protein targeting to mitochondrion
GO:0006970 response to osmotic stress
GO:0032204 regulation of telomere maintenance
GO:0032212 positive regulation of telomere maintenance via telomerase
GO:0034605 cellular response to heat
GO:0042026 protein refolding
GO:0043248 proteasome assembly
GO:0050821 protein stabilization
GO:0051604 protein maturation
GO:0070482 response to oxygen levels
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0032991 protein-containing complex
GO:0048471 perinuclear region of cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2cg9, PDBe:2cg9, PDBj:2cg9
PDBsum2cg9
PubMed16625188
UniProtP02829|HSP82_YEAST ATP-dependent molecular chaperone HSP82 (Gene Name=HSP82)

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