Structure of PDB 5x06 Chain F Binding Site BS01

Receptor Information
>5x06 Chain F (length=228) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAQLSLPLYLPDDETFASFWPGDNSSLLAALQNVLRQEHSGYIYLWAREG
AGRSHLLHAACAELSQRGDAVGYVPLDKRTWFVPEVLDGMEHLSLVCIDN
IECIAGDELWEMAIFDLYNRILESGKTRLLITGDRPPRQLNLGLPDLASR
LDWGQIYKLQPLSDEDKLQALQLRARLRGFELPEDVGRFLLKRLDREMRT
LFMTLDQLDRASITAQRKLTIPFVKEIL
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 chain5x06 Chain F Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x06 Replication regulation protein
Resolution3.237 Å
Binding residue
(original residue number in PDB)		F22 W23 G53 G55 R56 S57 H58 L165 R177 M201 R202 F205
Binding residue
(residue number reindexed from 1)		F19 W20 G50 G52 R53 S54 H55 L162 R174 M198 R199 F202
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0043531 ADP binding
Biological Process
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0008156 negative regulation of DNA replication
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0032297 negative regulation of DNA-templated DNA replication initiation
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:1990078 replication inhibiting complex
GO:1990085 Hda-beta clamp complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5x06, PDBe:5x06, PDBj:5x06
PDBsum5x06
PubMed
UniProtP69931|HDA_ECOLI DnaA regulatory inactivator Hda (Gene Name=hda)

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