Structure of PDB 4v94 Chain k Binding Site BS01

Receptor Information
>4v94 Chain k (length=513) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VFMNASQERTTGRQAQISNITAAKAVADVIRTCLGPKAMLKMLLDPMGGL
VLTNDGHAILREIDVAHPAAKSMLELSRTQDEEVGDGTTTVIILAGEILA
QCAPYLIEKNIHPVIIIQALKKALTDALEVIKQVSKPVDVENDAAMKKLI
QASIGTKYVIHWSEKMCELALDAVKTVREIDIKRYVRVEKIPGGDVLDSR
VLKGVLLNKDVVHPKMSRHIENPRVVLLDCPLEYKKGESQTNIEIEKEED
WNRILQIEEEQVQLMCEQILAVRPTLVITEKGVSDLAQHYLLKGGCSVLR
RVKKSDNNRIARVTGATIVNRVEDLKESDVGTNCGLFKVEMIGDEYFSFL
DNGSGKACTIMLRGGSKDILNEIDRNLQDAMAVARNVMLSPSLSPGGGAT
EMAVSVKLAEKAKQLEGIQQWPYQAVADAMECIPRTLIQNAGGDPIRLLS
QLRAKHAQGNFTTGIDGDKGKIVDMVSYGIWEPEVIKQQSVKTAIESACL
LLRVDDIVSGVRK
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 k Residue 1102 [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 D91 G92 T94 T95 T161 G416 G486 I499 E501
Binding residue
(residue number reindexed from 1)		L34 G35 D86 G87 T89 T90 T156 G397 G467 I480 E482
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D398
Catalytic site (residue number reindexed from 1) D379
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4v94, PDBe:4v94, PDBj:4v94
PDBsum4v94
PubMed22503819
UniProtP39077|TCPG_YEAST T-complex protein 1 subunit gamma (Gene Name=CCT3)

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