Structure of PDB 4v94 Chain D Binding Site BS01

Receptor Information
>4v94 Chain D (length=523) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSNATFKNKEKPQEVRKANIIAARSVADAIRTSLGPKGMDKMIKTSRGEI
IISNDGHTILKQMAILHPVARMLVEVSAAQDSEAGDGTTSVVILTGALLG
AAERLLNKGIHPTIIADSFQSAAKRSVDILLEMCHKVSLSDREQLVRAAS
TSLSSKIVSQYSSFLAPLAVDSVLKISDENSKNVDLNDIRLVKKVGGTID
DTEMIDGVVLTQTAIKSAGGPTRKEKAKIGLIQFQISPPKPDTENNIIVN
DYRQMDKILKEERAYLLNICKKIKKAKCNVLLIQKSILRDAVNDLALHFL
SKLNIMVVKDIEREEIEFLSKGLGCKPIADIELFTEDRLDSADLVEEIDS
DGSKIVRVTGIRNNNARPTVSVVIRGANNMIIDETERSLHDALCVIRCLV
KERGLIAGGGAPEIEISRRLSKEARSMEGVQAFIWQEFASALEVIPTTLA
ENAGLNSIKVVTELRSKHENGELNDGISVRRSGTTNTYEEHILQPVLVST
SAITLASECVKSILRIDDIAFSR
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 chain4v94 Chain D 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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PDB4v94 The Molecular Architecture of the Eukaryotic Chaperonin TRiC/CCT.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		L39 G40 P41 G92 T94 S95 T156 S160 G414 L454 I497 Q499
Binding residue
(residue number reindexed from 1)		L34 G35 P36 G87 T89 S90 T151 S155 G409 L449 I492 Q494
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D60 T93 T94 D396
Catalytic site (residue number reindexed from 1) D55 T88 T89 D391
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:4v94, PDBe:4v94, PDBj:4v94
PDBsum4v94
PubMed22503819
UniProtP39078|TCPD_YEAST T-complex protein 1 subunit delta (Gene Name=CCT4)

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