Structure of PDB 7abr Chain E Binding Site BS02

Receptor Information
>7abr Chain E (length=571) 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
EDRLKKVMDEIRQAGNIILFIDALHTLIGAIDASNILKPSLARGELQCIG
ATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHR
VSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFQENSEV
TVDDIAMVVSSWTGVPVSKIAQTETDKLLNMENILHSRVIGQDEAVVAVA
KAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIR
IDMSEYMEKHSTSRLVGSPPGYVGYDEGGQLTEKVRRKPYSVVLLDAIEK
AHPDVFNILLQVLEDGRLTDSKGRTVDFRNTILIMTSNVGASEQNHKDMK
DKVMGELKRAFRPEFINRIDEIIVFHSLEKKHLTEIVSLMSDQLTKRLKE
QDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNI
HKGQHIVLDVEDGEFVVKTTA
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7abr Chain D Residue 1003 [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)		I511 T547 G548 V549 G550 K551 T552 E553 A762 R763
Binding residue
(residue number reindexed from 1)		I290 T326 G327 V328 G329 K330 T331 E332 A526 R527
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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