Structure of PDB 4v8r Chain AH Binding Site BS01

Receptor Information
>4v8r Chain AH (length=519) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVVLKEGTDASQGKGQIISNINACVAVQEALKPTLGPLGSDILIVTSNQK
TTISNDGATILKLLDVVHPAAKTLVDISRAQDAEVGDGTTSVTILAGELM
KEAKPFLEEGISSHLIMKGYRKAVSLAVEKINELAVDITSEKSSGRELLE
RCARTAMSSKLIHNNADFFVKMCVDAVLSLDRNDLDDKLIGIKKIPGGAM
EESLFINGVAFKKTFSYAGFEQQPKKFNNPKILSLNVELELKAEKDNAEV
RVEHVEDYQAIVDAEWQLIFEKLRQVEETGANIVLSKLPIGDLATQFFAD
RNIFCAGRVSADDMNRVIQAVGGSIQSTTSDIKPEHLGTCALFEEMQIGS
ERYNLFQGCPQAKTCTLLLRGGAEQVIAEVERSLHDAIMIVKRALQNKLI
VAGGGATEMEVSKCLRDYSKTIAGKQQMIINAFAKALEVIPRQLCENAGF
DAIEILNKLRLAHSKGEKWYGVVFETENIGDNFAKFVWEPALVKINALNS
ATEATNLILSVDETITNKG
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 AH Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		L44 G45 G97 T98 T99 S100 T164 S168 G413 L453 E498
Binding residue
(residue number reindexed from 1)		L35 G36 G88 T89 T90 S91 T155 S159 G404 L444 E489
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:4v8r, PDBe:4v8r, PDBj:4v8r
PDBsum4v8r
PubMed23478063
UniProtP42943|TCPH_YEAST T-complex protein 1 subunit eta (Gene Name=CCT7)

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