Structure of PDB 4v94 Chain h Binding Site BS01

Receptor Information
>4v94 Chain h (length=521) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQNPNAGLFKQGYNSYSNADGQIIKSIAAIRELHQMCLTSMGPCGRNKII
VNHLGKIIITNDAATMLRELDIVHPAVKVLVMATEQQKIDMGDGTNLVMI
LAGELLNVSEKLISMGLSAVEIIQGYNMARKFTLKELDEMVVGEITDKND
KNELLKMIKPVISSKKYGSEDILSELVSEAVSHVLPYFNVDSIRVVKIMG
GSLSNSTVIKGMVFNREPEGHVKSLSEDKKHKVAVFTCPLDIANTETKGT
VLLHNAQEMLDFSKGEEKQIDAMMKEIADMGVECIVAGAGVGELALHYLN
RYGILVLKVPSKFELRRLCRVCGATPLPRLGAPTPEELGLVETVKTMEIG
GDRVTVFKQRTSTIILRGATQNNLDDIERAIDDGVAAVKGLMKPSGGKLL
PGAGATEIELISRITKYGERTPGLLQLAIKQFAVAFEVVPRTLAETAGLD
VNEVLPNLYAAHNTDHLYKGVDIDGESDEGVKDIREENIYDMLATKKFAI
NVATEAATTVLSIDQIIMAKK
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 h Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v94 The Molecular Architecture of the Eukaryotic Chaperonin TRiC/CCT.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		P48 D98 G99 T100 N101 L102 S169 A423 D519
Binding residue
(residue number reindexed from 1)		P43 D93 G94 T95 N96 L97 S164 A403 D491
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:4v94, PDBe:4v94, PDBj:4v94
PDBsum4v94
PubMed22503819
UniProtP47079|TCPQ_YEAST T-complex protein 1 subunit theta (Gene Name=CCT8)

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