Structure of PDB 4v8r Chain BA Binding Site BS01

Receptor Information
>4v8r Chain BA (length=537) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNNSRSDTLFLGGEKISGDDIRNQNVLATMAVANVVKSSLGPVGLDKMLV
DDIGDFTVTNDGATILSLLDVQHPAGKILVELAQQQDREIGDGTTSVVII
ASELLKRANELVKNKIHPTTIITGFRVALREAIRFINEVLSTSVETLINI
AKTSMSSKIIGADSDFFSNMVVDALLAVKTQNSKGEIKYPVKAVNVLKAH
GKSATESLLVPGYALNCTVASQAMPKRIAGGNVKIACLDLNLQKARMAMG
VQINIDDPEQLEQIRKREAGIVLERVKKIIDAGAQVVLTTKGIDDLCLKE
FVEAKIMGVRRCKKEDLRRIARATGATLVSSMSNLEGEETFESSYLGLCD
EVVQAKFSDDECILIKGTSKHSSSSIILRGANDYSLDEMERSLHDSLSVV
KRTLESGNVVPGGGCVEAALNIYLDNFATTVGSREQLAIAEFAAALLIIP
KTLAVNAAKDSSELVAKLRSYHAASQMAKKRRSYRNYGLDLIRGKIVDEI
HAGVLEPTISKVKSLKSALEACVAILRIDTMITVDPE
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 BA Residue 3601 [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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PDB4v8r The Crystal Structures of the Eukaryotic Chaperonin Cct Reveal its Functional Partitioning
Resolution3.8 Å
Binding residue
(original residue number in PDB)		L3044 P3046 D3096 G3097 T3099 S3100 T3162 S3165 S3166 G3421 G3422 L3462 V3517 E3519
Binding residue
(residue number reindexed from 1)		L40 P42 D92 G93 T95 S96 T153 S156 S157 G412 G413 L453 V504 E506
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D3065 T3098 T3099 D3404
Catalytic site (residue number reindexed from 1) D61 T94 T95 D395
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4v8r, PDBe:4v8r, PDBj:4v8r
PDBsum4v8r
PubMed23478063
UniProtP12612|TCPA_YEAST T-complex protein 1 subunit alpha (Gene Name=TCP1)

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