Structure of PDB 6wqh Chain D Binding Site BS01

Receptor Information
>6wqh Chain D (length=537) Species: 172827 (Meiothermus taiwanensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLEALRKKIEEVGMPEAVKTKALKELDRLERMQQGSPEATVARTYLDWL
TEVPWSKADPEVLDINHTRQVLDEDHYGLKDVKERILEYLAVRQLTQGLD
VRNKAPILVLVGPPGVGKTSLGRSIARSMNRKFHRISLGGVRDEAEIRGH
RRTYIGAMPGKLIHAMKQVGVINPVILLDEIDKMSSDWRGDPASAMLEVL
DPEQNNTFTDHYLDVPYDLSKVFFITTANTLQTIPRPLLDRMEVIEIPGY
TNMEKQAIARQYLWPKQVRESGMEGRIEVTDAAILRVISEYTREAGVRGL
ERELGKIARKGAKFWLEGAWEGLRTIDASDIPTYLGIPRYRPDKAETEPQ
VGTAQGLAWTPVGGTLLTIEVAAVPGSGKLSLTGQLGEVMKESAQAALTY
LRAHTQDYGLPEDFYNKVDLHVHVPDGATPKDGPSAGITMATAIASALSR
RPARMDIAMTGEVSLRGKVMPIGGVKEKLLAAHQAGIHKIVLPKDNEAQL
EELPKEVLEGLEIKLVEDVGEVLEYLLLPEPTMPPVV
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 chain6wqh Chain D Residue 801 [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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PDB6wqh Molecular basis for ATPase-powered substrate translocation by the Lon AAA+ protease.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Y320 P357 G358 V359 G360 K361 T362 S363 I501 Y505
Binding residue
(residue number reindexed from 1)		Y77 P114 G115 V116 G117 K118 T119 S120 I258 Y262
Annotation score5
Enzymatic activity
Enzyme Commision number 3.4.21.53: endopeptidase La.
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0006508 proteolysis
GO:0030163 protein catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6wqh, PDBe:6wqh, PDBj:6wqh
PDBsum6wqh
PubMed34563541
UniProtA0A059VAZ3

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