Structure of PDB 6pp5 Chain F Binding Site BS01
Receptor Information
>6pp5 Chain F (length=323) Species:
562
(Escherichia coli) [
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LPTPHEIRNHLDDYVIGQEQAKKVLAVAVYNHYKRLRNGDTSNGVELGKS
NILLIGPTGSGKTLLAETLARLLDVPFTMADATTGEDVENIIQKLLQKSD
YDVQKAQRGIVYIDQIDKISRDVSGEGVQQALLKLIEGTVAAVPPQGGQQ
EFLQVDTSKILFICGGAFAGLDKVISHRVETGSGIGFGATVSEGELLAQV
EPEDLIKFGLIPEFIGRLPVVATLNELSEEALIQILKEPKNALTKQYQAL
FNLEGVDLEFRDEALDAIAKKAMARKTGARGLRSIVEAALLDTMYDLPSM
EDVEKVVIDESVIDGQSEPLLIY
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
6pp5 Chain F Residue 600 [
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Receptor-Ligand Complex Structure
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PDB
6pp5
Structures of the ATP-fueled ClpXP proteolytic machine bound to protein substrate.
Resolution
3.98 Å
Binding residue
(original residue number in PDB)
Y77 T121 G122 G124 K125 T126 L127 I325 A369
Binding residue
(residue number reindexed from 1)
Y14 T58 G59 G61 K62 T63 L64 I235 A279
Annotation score
5
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
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:6pp5
,
PDBe:6pp5
,
PDBj:6pp5
PDBsum
6pp5
PubMed
32108573
UniProt
P0A6H1
|CLPX_ECOLI ATP-dependent Clp protease ATP-binding subunit ClpX (Gene Name=clpX)
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