Structure of PDB 6ks6 Chain B Binding Site BS01

Receptor Information
>6ks6 Chain B (length=518) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQIFGDQVTEERAENARLSAFVGAIAVGDLVKSTLGPKGMDKLLQSASSN
TCMVTNDGATILKSIPLDNPAAKVLVNISKVQDDEVGDGTTSVTVLSAEL
LREAEKLIDQSKIHPQTIIEGYRLASAAALDALTKAAVDNSHDKTMFRED
LIHIAKTTLSSKILSQDKDHFAELATNAILRLKGSTNLEHIQIIKILGGK
LSDSFLDEGFILAKKFGNNQPKRIENAKILIANTTLDTDKVKIFGTKFKV
DSTAKLAQLEKAEREKMKNKIAKISKFGINTFINRQLIYDYPEQLFTDLG
INSIEHADFEGVERLALVTGGEVVSTFDEPSKCKLGECDVIEEIMLGEQP
FLKFSGCKAGEACTIVLRGATDQTLDEAERSLHDALSVLSQTTKETRTVL
GGGCAEMVMSKAVDTEAQNIDGKKSLAVEAFARALRQLPTILADNAGFDS
SELVSKLRSSIYNGISTSGLDLNNGTIADMRQLGIVESYKLKRAVVSSAS
EAAEVLLRVDNIIRARPR
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 chain6ks6 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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PDB6ks6 An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		L37 G38 P39 G91 T93 S94 S162 S163 G404 L444 I487 E489
Binding residue
(residue number reindexed from 1)		L35 G36 P37 G89 T91 S92 S160 S161 G402 L442 I485 E487
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D59 T92 T93 D386
Catalytic site (residue number reindexed from 1) D57 T90 T91 D384
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
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
GO:0051086 chaperone mediated protein folding independent of cofactor
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005832 chaperonin-containing T-complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ks6, PDBe:6ks6, PDBj:6ks6
PDBsum6ks6
PubMed31492816
UniProtP39076|TCPB_YEAST T-complex protein 1 subunit beta (Gene Name=CCT2)

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