Structure of PDB 4v8r Chain Bq Binding Site BS01

Receptor Information
>4v8r Chain Bq (length=523) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNPNAGLFKQGYNSYSNADGQIIKSIAAIRELHQMCLTSMGPCGRNKIIV
NHLGKIIITNDAATMLRELDIVHPAVKVLVMATEQQKIDMGDGTNLVMIL
AGELLNVSEKLISMGLSAVEIIQGYNMARKFTLKELDEMVVGEITDKNDK
NELLKMIKPVISSKKYGSEDILSELVSEAVSHVLPVAFNVDSIRVVKIMG
GSLSNSTVIKGMVFNREPEGHVKSLSEDKKHKVAVFTCPLDIANTETKGT
VLLHNAQEMLDFSKGEEKQIDAMMKEIADMGVECIVAGAGVGELALHYLN
RYGILVLKVPSKFELRRLCRVCGATPLPRLGAPTPEELGLVETVKTMEIG
GDRVTVFKQEQGEISRTSTIILRGATQNNLDDIERAIDDGVAAVKGLMKP
SGGKLLPGAGATEIELISRITKYGERTPGLLQLAIKQFAVAFEVVPRTLA
ETAGLDVNEVLPNLYAAHNDHLYKGVDIDDEGVKDIREENIYDMLATKKF
AINVATEAATTVLSIDQIIMAKK
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 Bq Residue 4601 [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)		M4046 G4047 D4098 G4099 T4100 N4101 L4102 P4165 S4169 G4422 A4423 I4501 D4519
Binding residue
(residue number reindexed from 1)		M40 G41 D92 G93 T94 N95 L96 P159 S163 G408 A409 I478 D493
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
UniProtP47079|TCPQ_YEAST T-complex protein 1 subunit theta (Gene Name=CCT8)

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