Structure of PDB 3k1j Chain B Binding Site BS01

Receptor Information
>3k1j Chain B (length=561) Species: 523850 (Thermococcus onnurineus NA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLELGIEFTTTEEIEVPEKLIDQVIGQEHAVEVIKTAANQKRHVLLIGEP
GTGKSMLGQAMAELLPTETLEDILVFPNPEDENMPRIKTVPACQGRRIVE
KYREKAKSQTVLVPKLLVDNCGRTKAPFIDATGAHAGALLGDVRHDPFGT
PAHERVEPGMIHRAHKGVLFIDEIATLSLKMQQSLLTAMQEKKFPITGQS
EMSSGAMVRTEPVPCDFVLVAAGNLDTVDKMHPALRSRIRGYGYEVYMRT
TMPDTIENRRKLVQFVAQEVKRDGKIPHFTKEAVEEIVREAQKRAGRKGH
LTLRLRDLGGIVRAAGDIAVKKGKKYVEREDVIEAVKMAKPLEKQLADWY
IERKKEYQVIKTEGSEIGRVNGLAVIGEQSGIVLPIEAVVAPAASKEEGK
IIVTGKLGEIAKEAVQNVSAIIKRYKGEDISRYDIHVQFLQTYEGVEGDA
ASISVATAVISALEGIPIRQDVAMTGSLSVRGEVLPIGGATPAIEAAIEA
GIKMVIIPKSNEKDVFLSKDKAEKIQIFPVETIDEVLEIALEESEKKREL
LRRIRETLPLS
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 chain3k1j Chain B Residue 642 [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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PDB3k1j Crystal structure of Lon protease: molecular architecture of gated entry to a sequestered degradation chamber
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I44 G70 T71 G72 K73 S74 M75 E342 R345 L378
Binding residue
(residue number reindexed from 1)		I25 G51 T52 G53 K54 S55 M56 E269 R272 L305
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004176 ATP-dependent peptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005524 ATP binding
GO:0008134 transcription factor binding
GO:0008236 serine-type peptidase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006508 proteolysis
GO:0030163 protein catabolic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3k1j, PDBe:3k1j, PDBj:3k1j
PDBsum3k1j
PubMed20834233
UniProtB6YU74

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