Structure of PDB 6xhj Chain A Binding Site BS01

Receptor Information
>6xhj Chain A (length=473) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSRTYGKEALRANIAAVKAIEEALKSTYGPRGMDKMLVDSLGDITITND
GATILDKMDLQHPTGKLLVQIAKGQDEETADGTKTAVILAGELAKKAEDL
LYKEIHPTIIVSGYKKAEEIALKTIQEIAQPVTINDTDVLRKVALTSLGS
KAVAGAREYLADLVVKAVAQVAELRGDKWYVDLDNVQIVKKHGGSVNDTQ
LVYGIVVDKEVVHPGMPKRIENAKIALLDAPTQMHKFLEEEENILKEKVD
KIAATGANVVICQKVAQHYLAKLAVRRSDLEKLARATGGRVELDLGYAAL
VEERKDKMVFVEGAKNPKSVSILIRGGLERVVDETERALRDALGTVADVI
RDGRAVAGGGAVEIEIAKRLRKYAPQVGGKEQLAIEAYANAIEGLIMILA
ENAGLDPIDKLMQLRSLHENETNKWYGLNLFTGNPEDMWKLGVIEPALVK
MNAVKAATEAVTLVLRIDDIVAA
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 chain6xhj Chain A Residue 602 [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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PDB6xhj Structural analysis of the Sulfolobus solfataricus TF55beta chaperonin by cryo-electron microscopy
Resolution3.62 Å
Binding residue
(original residue number in PDB)		G50 P51 D101 G102 T103 K104 G417 V501
Binding residue
(residue number reindexed from 1)		G30 P31 D81 G82 T83 K84 G359 V443
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D70 T103 K104 D399
Catalytic site (residue number reindexed from 1) D50 T83 K84 D341
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:0006457 protein folding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6xhj, PDBe:6xhj, PDBj:6xhj
PDBsum6xhj
PubMed
UniProtQ9V2T8|THSB_SACS2 Thermosome subunit beta (Gene Name=thsB)

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