Structure of PDB 3ez2 Chain B Binding Site BS02

Receptor Information
>3ez2 Chain B (length=394) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQLHKVAQRANRMLNVLTEQVQLQKDELHANEFYQVYAKAALAKLPLLTR
ANVDYAVSEMEEKGYVFDKRPAGSSMKYAMSIQNIIDIYEHRGVPKYRDR
YSEAYVIFISNLKGGVSKTVSTVSLAHAMRAHPHLLMEDLRILVIDLDPQ
SSATMFLSHKHSIGIVNATSAQAMLQNVSREELLEEFIVPSVVPGVDVMP
ASIDDAFIASDWRELCNEHLPGQNIHAVLKENVIDKLKSDYDFILVDSGP
HLDAFLKNALASANILFTPLPPATVDFHSSLKYVARLPELVKLISDEGCE
CQLATNIGFMSKLSNKADHKYCHSLAKEVFGGDMLDVFLPRLDGFERCGE
SFDTVISANPATYVGSADALKNARIAAEDFAKAVFDRIEFIRSN
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 chain3ez2 Chain B Residue 502 [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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PDB3ez2 Structural basis for ADP-mediated transcriptional regulation by P1 and P7 ParA.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		G119 V120 S121 K122 T123 V124 K316 P344 L346 F349 E350
Binding residue
(residue number reindexed from 1)		G115 V116 S117 K118 T119 V120 K312 P340 L342 F345 E346
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042802 identical protein binding
Biological Process
GO:0030541 plasmid partitioning

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3ez2, PDBe:3ez2, PDBj:3ez2
PDBsum3ez2
PubMed19461582
UniProtP07620|PARA_ECOLX Plasmid partition protein A (Gene Name=parA)

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