Structure of PDB 4v8r Chain Bb Binding Site BS01

Receptor Information
>4v8r Chain Bb (length=517) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIFGDQVTEERAENARLSAFVGAIAVGDLVKSTLGPKGMDKLLQSASSNT
CMVTNDGATILKSIPLDNPAAKVLVNISKVQDDEVGDGTTSVTVLSAELL
REAEKLIDQSKIHPQTIIEGYRLASAAALDALTKAAVDNSHDKTMFREDL
IHIAKTTLSSKILSQDKDHFAELATNAILRLKGSTNLEHIQIIKILGGKL
SDSFLDEGFILAKKFGNNQPKRIENAKILIANTTLDTDKVKIFGTKFKVD
STAKLAQLEKAEREKMKNKIAKISKFGINTFINRQLIYDYPEQLFTDLGI
NSIEHADFEGVERLALVTGGEVVSTFDEPSKCKLGECDVIEEIMLGEQPF
LKFSGCKAGEACTIVLRGATDQTLDEAERSLHDALSVLSQTTKETRTVLG
GGCAEMVMSKAVDTEAQNIDGKKSLAVEAFARALRQLPTILADNAGFDSS
ELVSKLRSSIYNGISTSGLDLNNGTIADMRQLGIVESYKLKRAVVSSASE
AAEVLLRVDNIIRARPR
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 chain4v8r Chain Bb Residue 4601 [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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PDB4v8r The Crystal Structures of the Eukaryotic Chaperonin Cct Reveal its Functional Partitioning
Resolution3.8 Å
Binding residue
(original residue number in PDB)		L4037 P4039 D4090 G4091 T4093 S4094 T4159 G4404 L4444 I4487 E4489 K4494
Binding residue
(residue number reindexed from 1)		L34 P36 D87 G88 T90 S91 T156 G401 L441 I484 E486 K491
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: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
View graph for
Cellular Component
External links
PDB RCSB:4v8r, PDBe:4v8r, PDBj:4v8r
PDBsum4v8r
PubMed23478063
UniProtP39076|TCPB_YEAST T-complex protein 1 subunit beta (Gene Name=CCT2)

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