Structure of PDB 4v8r Chain BD Binding Site BS01

Receptor Information
>4v8r Chain BD (length=515) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NATFKNKEKPQEVRKANIIAARSVADAIRTSLGPKGMDKMIKTSRGEIII
SNDGHTILKQMAILHPVARMLVEVSAAQDSEAGDGTTSVVILTGALLGAA
ERLLNKGIHPTIIADSFQSAAKRSVDILLEMCHKVSLSDREQLVRAASTS
LSSKIVSQYSSFLAPLAVDSVLKISDENSKNVDLNDIRLVKKVGGTIDDT
EMIDGVVLTQTAIKSAGGPTRKEKAKIGLIQFQISPPKPDTENNIIVNDY
RQMDKILKEERAYLLNICKKIKKAKCNVLLIQKSILRDAVNDLALHFLSK
LNIMVVKDIEREEIEFLSKGLGCKPIADIELFTEDRLDSADLVEEIDSDG
SKIVRVTGIPTVSVVIRGANNMIIDETERSLHDALCVIRCLVKERGLIAG
GGAPEIEISRRLSKEARSMEGVQAFIWQEFASALEVIPTTLAENAGLNSI
KVVTELRSKHENGELNDGISVRRSGTTNTYEEHILQPVLVSTSAITLASE
CVKSILRIDDIAFSR
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 BD Residue 3601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		S3038 L3039 G3040 P3041 N3059 G3092 T3094 S3095 S3160 G3414 L3454 S3483 V3484 I3497
Binding residue
(residue number reindexed from 1)		S31 L32 G33 P34 N52 G85 T87 S88 S153 G401 L441 S470 V471 I484
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
GO:0051086 chaperone mediated protein folding independent of cofactor
Cellular Component
GO:0005737 cytoplasm
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:4v8r, PDBe:4v8r, PDBj:4v8r
PDBsum4v8r
PubMed23478063
UniProtP39078|TCPD_YEAST T-complex protein 1 subunit delta (Gene Name=CCT4)

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