Structure of PDB 6ks6 Chain A Binding Site BS01
Receptor Information
>6ks6 Chain A (length=550) Species:
559292
(Saccharomyces cerevisiae S288C) [
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MSQLFNNSRSDTLFLGGEKISGDDIRNQNVLATMAVANVVKSSLGPVGLD
KMLVDDIGDFTVTNDGATILSLLDVQHPAGKILVELAQQQDREIGDGTTS
VVIIASELLKRANELVKNKIHPTTIITGFRVALREAIRFINEVLSTSVDT
LGKETLINIAKTSMSSKIIGADSDFFSNMVVDALLAVKTQNSKGEIKYPV
KAVNVLKAHGKSATESLLVPGYALNCTVASQAMPKRIAGGNVKIACLDLN
LQKARMAMGVQINIDDPEQLEQIRKREAGIVLERVKKIIDAGAQVVLTTK
GIDDLCLKEFVEAKIMGVRRCKKEDLRRIARATGATLVSSMSNLEGEETF
ESSYLGLCDEVVQAKFSDDECILIKGTSKHSSSSIILRGANDYSLDEMER
SLHDSLSVVKRTLESGNVVPGGGCVEAALNIYLDNFATTVGSREQLAIAE
FAAALLIIPKTLAVNAAKDSSELVAKLRSYHAASQMAKPEDVKRRSYRNY
GLDLIRGKIVDEIHAGVLEPTISKVKSLKSALEACVAILRIDTMITVDPE
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
6ks6 Chain A Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
6ks6
An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Resolution
2.99 Å
Binding residue
(original residue number in PDB)
L44 P46 G97 T99 T162 S165 S166 G421 G422 V517
Binding residue
(residue number reindexed from 1)
L44 P46 G97 T99 T162 S165 S166 G421 G422 V517
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
D65 T98 T99 D404
Catalytic site (residue number reindexed from 1)
D65 T98 T99 D404
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
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:6ks6
,
PDBe:6ks6
,
PDBj:6ks6
PDBsum
6ks6
PubMed
31492816
UniProt
P12612
|TCPA_YEAST T-complex protein 1 subunit alpha (Gene Name=TCP1)
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