Structure of PDB 4v4o Chain a Binding Site BS02
Receptor Information
>4v4o Chain a (length=527) Species:
274
(Thermus thermophilus) [
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AKILVFDEAARRALERGVNAVANAVKVTLGPRGRNVVLEKKFGSPTITKD
GVTVAKEVELEDHLENIGAQLLKEVASKTNDVAGDGTTTATVLAQAIVRE
GLKNVAAGANPLALKRGIEKAVEAAVEKIKALAIPVEDRKAIEEVATISA
NDPEVGKLIADAMEKVGKEGIITVEESKSLETELKFVEGYQFDKGYISPY
FVTNPETMEAVLEDAFILIVEKKVSNVRELLPILEQVAQTGKPLLIIAED
VEGEALATLVVNKLRGTLSVAAVKAPGFGDRRKEMLKDIAAVTGGTVISE
ELGFKLENATLSMLGRAERVRITKDETTIVGGKGKKEDIEARINGIKKEL
ETTDSEYAREKLQERLAKLAGGVAVIRVGAATETELKEKKHRFEDALNAT
RAAVEEGIVPGGGVTLLRAISAVEELIKKLEGDEATGAKIVRRALEEPAR
QIAENAGYEGSVIVQQILAETKNPRYGFNAATGEFVDMVEAGIVDPAKVT
RSALQNAASIGALILTTEAVVAEKPEK
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
4v4o Chain a Residue 602 [
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Receptor-Ligand Complex Structure
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PDB
4v4o
Crystal structure of the native chaperonin complex from Thermus thermophilus revealed unexpected asymmetry at the cis-cavity
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
G32 P33 K51 D87 G88 T89 T90 T91 G414 D497
Binding residue
(residue number reindexed from 1)
G30 P31 K49 D85 G86 T87 T88 T89 G412 D495
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
D397
Catalytic site (residue number reindexed from 1)
D395
Enzyme Commision number
5.6.1.7
: chaperonin ATPase.
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0016853
isomerase activity
GO:0051082
unfolded protein binding
GO:0140662
ATP-dependent protein folding chaperone
Biological Process
GO:0006457
protein folding
GO:0009408
response to heat
GO:0042026
protein refolding
GO:0051085
chaperone cofactor-dependent protein refolding
Cellular Component
GO:0005737
cytoplasm
GO:1990220
GroEL-GroES complex
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4v4o
,
PDBe:4v4o
,
PDBj:4v4o
PDBsum
4v4o
PubMed
15296740
UniProt
P61490
|CH60_THET2 Chaperonin GroEL (Gene Name=groEL)
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