Structure of PDB 6wrf Chain F Binding Site BS01

Receptor Information
>6wrf Chain F (length=339) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPTPHEIRNHLDDYVIGQEQAKKVLAVAVYNHYKRLRNGDTSNGVELGKS
NILLIGPTGSGKTLLAETLARLLDVPFTMADATTLTEAGYVGEDVENIIQ
KLLQKSDYDVQKAQRGIVYIDEIDKISRGEGVQQALLKLIEGTVAAVPPQ
GGRKHPQQEFLQVDTSKILFICGGAFAGLDKVISHRVETGSGIGFGATVK
AKSDKASEGELLAQVEPEDLIKFGLIPEFIGRLPVVATLNELSEEALIQI
LKEPKNALTKQYQALFNLEGVDLEFRDEALDAIAKKAMARKTGARGLRSI
VEAALLDTMYDLPSMEDVEKVVIDESVIDGQSEPLLIYG
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 chain6wrf Chain F Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6wrf Structural basis of ClpXP recognition and unfolding of ssrA-tagged substrates.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		Y77 T121 G122 S123 G124 K125 T126 L127 A369 R370
Binding residue
(residue number reindexed from 1)		Y14 T58 G59 S60 G61 K62 T63 L64 A294 R295
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6wrf, PDBe:6wrf, PDBj:6wrf
PDBsum6wrf
PubMed33089779
UniProtP0A6H1|CLPX_ECOLI ATP-dependent Clp protease ATP-binding subunit ClpX (Gene Name=clpX)

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