Structure of PDB 4v81 Chain G Binding Site BS01

Receptor Information
>4v81 Chain G (length=509) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTDASQGKGQIISNINACVAVQEALKPTLGPLGSDILIVTSNQKTTISND
GATILKLLDVVHPAAKTLVDISRAQDAEVGDGTTSVTILAGELMKEAKPF
LEEGISSHLIMKGYRKAVSLAVEKINELAVDITSELLERCARTAMSSKLI
HNNADFFVKMCVDAVLSLDRNDLDDKLIGIKKIPGGAMEESLFINGVAFK
KTFSYAGFEQQPKKFNNPKILSLNVELELKAEKDNAEVRVEHVEDYQAIV
DAEWQLIFEKLRQVEETGANIVLSKLPIGDLATQFFADRNIFCAGRVSAD
DMNRVIQAVGGSIQSTTSDIKPEHLGTCALFEEMQIGSERYNLFQGCPQA
KTCTLLLRGGAEQVIAEVERSLHDAIMIVKRALQNKLIVAGGGATEMEVS
KCLRDYSKTIAGKQQMIINAFAKALEVIPRQLCENAGFDAIEILNKLRLA
HSKGEKWYGVVFETENIGDNFAKFVWEPALVKINALNSATEATNLILSVD
ETITNKGSE
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 chain4v81 Chain G Residue 601 [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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PDB4v81 The crystal structure of yeast CCT reveals intrinsic asymmetry of eukaryotic cytosolic chaperonins.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		T43 G45 D96 G97 T99 S100 S168 G413 L453 F483 E498
Binding residue
(residue number reindexed from 1)		T28 G30 D81 G82 T84 S85 S147 G392 L432 F462 E477
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D65 T98 T99 D395
Catalytic site (residue number reindexed from 1) D50 T83 T84 D374
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:4v81, PDBe:4v81, PDBj:4v81
PDBsum4v81
PubMed21701561
UniProtP42943|TCPH_YEAST T-complex protein 1 subunit eta (Gene Name=CCT7)

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