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BioLiP

Structure of PDB 3m6a Chain B Binding Site BS01

Receptor Information
>3m6a Chain B (length=496) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGEVQTLTEKIEEAGMPDHVKETALKELNRYEKIPSSSAESSVIRNYIDW
LVALPWTDETDDKLDLKEAGRLLDEEHHGLEKVKERILEYLAVQKLTKSL
KGPILCLAGPPGVGKTSLAKSIAKSLGRKFVRISLGGRIIQGMKKAGKLN
PVFLLDEIDKMSAMLEVLDPEQNSSFSDHYIEETFDLSKVLFIATANNLA
TIPGPLRDRMEIINIAGYTEIEKLEIVKDHLLPKQIKEHGLKKSNLQLRD
QAILDIIRYYTREAGVRSLERQLAAICRKAAKAIVAEERKRITVTEKNLQ
DFIGKRIFRYGQAETEDQVGVVTGLAYTTVGGDTLSIEVSLSPGKGKLIL
TGKLGDVMRESAQAAFSYVRSKTEELGIEPDFHEKYDIHIHVPEGAVPKD
GPAAGITMATALVSALTGRAVSREVGMTGEITLRGRVLPIGGLKEKALGA
HRAGLTTIIAPKDNEKDIEDIPESVREGLTFILASHLDEVLEHALV
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 chain3m6a Chain B Residue 783 [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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PDB3m6a Crystal Structures of Bacillus subtilis Lon Protease.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		P356 G357 V358 G359 K360 T361 Y492 I500 V540
Binding residue
(residue number reindexed from 1)		P111 G112 V113 G114 K115 T116 Y218 I226 V266
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
Biological Process
GO:0006508 proteolysis
GO:0030163 protein catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3m6a, PDBe:3m6a, PDBj:3m6a
PDBsum3m6a
PubMed20600124
UniProtP37945|LON1_BACSU Lon protease 1 (Gene Name=lon1)

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