Structure of PDB 4v94 Chain a Binding Site BS01

Receptor Information
>4v94 Chain a (length=539) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLFNNSRSDTLFLGGEKISGDDIRNQNVLATMAVANVVKSSLGPVGLDKM
LVDDIGDFTVTNDGATILSLLDVQHPAGKILVELAQQQDREIGDGTTSVV
IIASELLKRANELVKNKIHPTTIITGFRVALREAIRFINEVLSTSETLIN
IAKTSMSSKIIGADSDFFSNMVVDALLAVKTQNSKGEIKYPVKAVNVLKA
HGKSATESLLVPGYALNCTVASQAMPKRIAGGNVKIACLDLNLQKARMAM
GVQINIDDPEQLEQIRKREAGIVLERVKKIIDAGAQVVLTTKGIDDLCLK
EFVEAKIMGVRRCKKEDLRRIARATGATLVSSMSNLEGEETFESSYLGLC
DEVVQAKFSDDECILIKGTSKHSSSSIILRGANDYSLDEMERSLHDSLSV
VKRTLESGNVVPGGGCVEAALNIYLDNFATTVGSREQLAIAEFAAALLII
PKTLAVNAAKDSSELVAKLRSYHAASQMAKPEDRSYRNYGLDLIRGKIVD
EIHAGVLEPTISKVKSLKSALEACVAILRIDTMITVDPE
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 a 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)		L44 P46 D96 G97 T99 S100 T162 S166 G422 V517
Binding residue
(residue number reindexed from 1)		L42 P44 D94 G95 T97 S98 T154 S158 G414 V506
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:0005832 chaperonin-containing T-complex
GO:0005886 plasma membrane

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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
UniProtP12612|TCPA_YEAST T-complex protein 1 subunit alpha (Gene Name=TCP1)

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