Structure of PDB 1tc6 Chain B Binding Site BS01

Receptor Information
>1tc6 Chain B (length=194) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALA
GNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLTSELIGQFGVGFYS
AFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVL
KEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTTVWDWELMN
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 chain1tc6 Chain B Residue 601 [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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PDB1tc6 Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		N107 A111 M154 N162 G198 F199
Binding residue
(residue number reindexed from 1)		N30 A34 M77 N85 G97 F98
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:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tc6, PDBe:1tc6, PDBj:1tc6
PDBsum1tc6
PubMed15292259
UniProtP41148|ENPL_CANLF Endoplasmin (Gene Name=HSP90B1)

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