Structure of PDB 7abr Chain B Binding Site BS03

Receptor Information
>7abr Chain B (length=574) 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]
ANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLI
GEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTLDMGTVVAGTKYRGEF
EDRLKKVMDEIRQAGNIILFIDALHTLIGAGGAEGAIDASNILKPSLARG
ELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDR
YEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSF
TENSEVTVDDIAMVVSSWTGVPVSKIAQTETDKLLNMENILHSRVIGQDE
AVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGD
EESMIRIDMSEYMEKHSTSRLVGSPPGYVGYDEGGQLTEKVRRKPYSVVL
LDAIEKAHPDVFNILLQVLEDGRLTDSKGRTVDFRNTILIMTSNVTQNHK
DMKDKVMGELKRAFRPEFINRIDEIIVFHSLEKKHLTEIVSLMSDQLTKR
LKEQDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLR
GNIHKGQHIVLDVEDGEFVVKTTA
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 chain7abr Chain B Residue 901 [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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PDB7abr BacPROTACs mediate targeted protein degradation in bacteria.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		R509 V510 I511 G548 V549 G550 K551 T552 E553 I722 R763
Binding residue
(residue number reindexed from 1)		R294 V295 I296 G333 V334 G335 K336 T337 E338 I489 R530
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0030420 establishment of competence for transformation

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Molecular Function
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Biological Process
External links
PDB RCSB:7abr, PDBe:7abr, PDBj:7abr
PDBsum7abr
PubMed35662409
UniProtP37571|CLPC_BACSU Negative regulator of genetic competence ClpC/MecB (Gene Name=clpC)

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