Structure of PDB 1aon Chain C Binding Site BS01
Receptor Information
>1aon Chain C (length=524) Species:
562
(Escherichia coli) [
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AAKDVKFGNDARVKMLRGVNVLADAVKVTLGPKGRNVVLDKSFGAPTITK
DGVSVAREIELEDKFENMGAQMVKEVASKANDAAGDGTTTATVLAQAIIT
EGLKAVAAGMNPMDLKRGIDKAVTAAVEELKALSVPCSDSKAIAQVGTIS
ANSDETVGKLIAEAMDKVGKEGVITVEDGTGLQDELDVVEGMQFDRGYLS
PYFINKPETGAVELESPFILLADKKISNIREMLPVLEAVAKAGKPLLIIA
EDVEGEALATLVVNTMRGIVKVAAVKAPGFGDRRKAMLQDIATLTGGTVI
SEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGVGEEAAIQGRVAQIRQ
QIEEATSDYDREKLQERVAKLAGGVAVIKVGAATEVEMKEKKARVEDALH
ATRAAVEEGVVAGGGVALIRVASKLADLRGQNEDQNVGIKVALRAMEAPL
RQIVLNCGEEPSVVANTVKGGDGNYGYNAATEEYGNMIDMGILDPTKVTR
SALQYAASVAGLMITTECMVTDLP
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
1aon Chain C Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
1aon
The crystal structure of the asymmetric GroEL-GroES-(ADP)7 chaperonin complex.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
L31 G32 P33 D87 G88 T90 T91 I150 G414 G415 A480 I493 D495
Binding residue
(residue number reindexed from 1)
L30 G31 P32 D86 G87 T89 T90 I149 G413 G414 A479 I492 D494
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
D52 T89 T90 D398
Catalytic site (residue number reindexed from 1)
D51 T88 T89 D397
Enzyme Commision number
5.6.1.7
: chaperonin ATPase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0016853
isomerase activity
GO:0016887
ATP hydrolysis activity
GO:0042802
identical protein binding
GO:0051082
unfolded protein binding
GO:0140662
ATP-dependent protein folding chaperone
Biological Process
GO:0006457
protein folding
GO:0009314
response to radiation
GO:0009408
response to heat
GO:0019068
virion assembly
GO:0042026
protein refolding
GO:0051085
chaperone cofactor-dependent protein refolding
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0016020
membrane
GO:1990220
GroEL-GroES complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1aon
,
PDBe:1aon
,
PDBj:1aon
PDBsum
1aon
PubMed
9285585
UniProt
P0A6F5
|CH60_ECOLI Chaperonin GroEL (Gene Name=groEL)
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